data_1v6e_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 1v6e _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.453 ' CG2' ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -137.27 133.67 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.7 mtt -81.99 118.28 22.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.0 m -127.79 150.14 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -92.32 103.1 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mm -84.26 138.99 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 t -134.18 179.35 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.458 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 44.4 p -173.51 134.08 0.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -50.99 -23.88 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.964 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -49.2 41.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.33 143.54 33.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -59.27 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.976 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -101.6 173.08 6.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.52 157.99 23.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.6 m -105.6 171.29 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -122.84 99.59 6.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -125.29 177.4 6.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -138.72 147.2 42.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -153.32 142.61 21.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.4 t -68.34 147.92 51.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.453 ' HG2' ' CG2' ' A' ' 8' ' ' VAL . 6.9 mtt180 -72.44 -3.89 26.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.26 -5.75 39.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mt -72.53 106.66 4.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' GLU . 3.1 p -56.11 136.8 52.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' THR . 36.7 mm -37.33 -48.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.9 -52.45 64.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.7 mm-40 -62.45 -48.8 78.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.575 ' CD2' HD13 ' A' ' 71' ' ' LEU . 1.3 t80 -43.81 -46.51 7.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -61.34 -47.2 86.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -29.7 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' A' ' 35' ' ' LYS . 4.2 mmtt -77.86 -56.54 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.445 ' CD1' HD21 ' A' ' 51' ' ' LEU . 9.2 mt -48.04 -27.02 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 24.3 mt-10 -51.11 -30.6 16.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.9 mt -93.27 -22.36 19.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.6 t -74.68 -58.4 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 14' ' ' SER . 2.2 m -85.05 -16.12 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 72.56 5.9 64.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.426 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -103.78 173.83 3.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 110.007 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.99 132.51 15.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . . . -72.69 -18.99 61.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.1 6.1 17.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.7 m -127.51 -59.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 108.27 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.493 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.2 ptp -52.73 152.26 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -117.48 157.17 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.353 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.445 HD21 ' CD1' ' A' ' 38' ' ' LEU . 14.8 mt -112.97 154.15 26.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -144.94 139.5 27.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.455 HD12 ' CG2' ' A' ' 76' ' ' VAL . 7.6 tp -107.45 98.85 8.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -94.72 141.54 28.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.35 -142.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.24 -73.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 0.794 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' ASP . 11.8 t0 -74.64 58.08 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' ASP . 19.1 m-20 39.62 75.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.98 96.25 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -48.17 137.33 10.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -114.58 -74.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.81 174.43 10.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -109.32 143.11 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.458 HD13 ' CE2' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -90.65 63.3 5.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -81.83 -42.8 19.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.458 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.9 OUTLIER -53.04 114.0 1.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -90.28 -26.44 20.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.45 11.32 14.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -99.3 158.25 15.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.3 mt -106.18 134.06 49.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.575 HD13 ' CD2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -56.05 101.14 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.59 -44.93 0.58 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 p -51.13 -22.08 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.029 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.458 ' CE2' HD13 ' A' ' 64' ' ' LEU . 25.2 m-85 -84.88 167.69 25.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.68 4.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.545 1.813 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.455 ' CG2' HD12 ' A' ' 53' ' ' LEU . 5.0 p -117.52 172.16 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -173.58 161.16 3.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.361 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.59 96.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.33 -16.22 2.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.434 ' CB ' HG21 ' A' ' 76' ' ' VAL . 1.3 m -64.32 -172.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.49 130.43 42.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 11.0 mm -111.33 101.52 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -88.39 110.63 20.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.587 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.493 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 46.4 t -84.99 117.7 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.8 mt -87.49 102.69 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.03 101.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.628 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.03 126.14 65.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.453 0.737 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.0 OUTLIER -75.9 105.79 7.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.84 149.71 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -92.52 103.16 15.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.7 mm -84.55 133.71 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 t -131.37 171.15 13.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 110.019 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.2 p -158.08 146.88 19.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -4.51 38.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mt -76.59 -50.09 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -111.86 135.48 52.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.3 m -79.41 68.61 5.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.03 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -179.74 159.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -103.79 151.06 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -108.59 167.06 10.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -122.89 99.61 6.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -125.46 177.16 6.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 3.0 ttt180 -136.49 144.24 44.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.407 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 75.7 m-85 -149.3 142.31 24.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 28' ' ' SER . 5.8 t -72.24 125.92 28.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.027 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 71' ' ' LEU . 1.2 mtt85 -46.51 -23.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -65.56 -37.43 86.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.054 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 26' ' ' SER . 9.2 mt -42.6 111.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 31' ' ' ILE . 80.4 p -64.44 137.39 57.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 30' ' ' THR . 38.2 mm -34.41 -41.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.3 -58.88 5.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.3 mm-40 -56.88 -42.22 79.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.576 ' CD2' HD12 ' A' ' 71' ' ' LEU . 1.3 t80 -49.16 -47.78 45.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 2.1 mttm -62.4 -47.93 81.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -48.34 -30.16 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 108.325 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -76.43 -48.76 18.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.48 ' CD1' HD23 ' A' ' 51' ' ' LEU . 30.2 mt -59.25 -33.36 70.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.529 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 25.2 mt-10 -39.43 -35.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.8 mt -87.29 -50.02 6.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.4 t -41.09 -37.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -111.0 -19.17 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 73.58 21.47 79.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.434 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -116.65 174.46 2.46 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.754 . . . . 0.0 110.015 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.94 135.4 19.15 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.549 1.815 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . . . -77.58 -20.14 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.24 0.51 24.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.8 m -118.11 -66.08 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.26 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 8.3 ptp -44.35 154.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -116.45 161.87 18.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.48 HD23 ' CD1' ' A' ' 38' ' ' LEU . 21.9 mt -114.44 143.3 45.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -141.87 131.55 24.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.434 HD13 ' CG2' ' A' ' 76' ' ' VAL . 12.1 tp -104.76 107.14 17.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -91.87 147.4 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . -74.49 -144.13 0.91 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.422 1.076 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.7 -66.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 58' ' ' ASP . 9.0 t0 -77.44 55.28 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' ASP . 29.0 m-20 37.96 78.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.5 tttm -138.23 107.43 6.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -53.06 139.83 27.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -112.32 -80.19 0.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.45 178.1 6.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.53 132.31 53.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -88.49 66.85 8.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.36 -48.25 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.466 ' CG ' ' HB1' ' A' ' 69' ' ' ALA . 4.3 tp60 -40.69 107.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.61 -42.22 61.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -12.18 31.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.466 ' HB1' ' CG ' ' A' ' 66' ' ' GLN . . . -81.68 153.39 26.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.402 ' CD2' HG21 ' A' ' 30' ' ' THR . 24.7 mt -113.06 134.76 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.576 HD12 ' CD2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -54.09 101.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.0 -50.23 0.51 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.45 -23.51 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -82.57 166.89 33.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.82 3.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.434 ' CG2' HD13 ' A' ' 53' ' ' LEU . 9.7 p -124.13 166.72 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -171.84 165.99 6.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -57.43 103.48 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 137.38 -18.68 3.45 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.408 ' CB ' HG21 ' A' ' 76' ' ' VAL . 5.6 m -68.43 -173.36 0.42 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.89 129.21 36.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.272 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 11.8 mm -108.79 100.47 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -82.92 105.41 13.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.623 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 38.8 t -85.52 103.03 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.3 mt -74.07 103.76 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.43 105.43 0.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.363 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.634 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.456 HG21 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -142.01 132.92 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.781 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -94.5 115.72 27.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.7 m -120.34 151.4 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -94.4 103.05 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mm -84.27 141.92 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -150.21 165.1 33.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.39 157.51 42.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -23.3 63.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.51 -47.41 86.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -117.05 119.01 33.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.08 78.34 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -177.57 169.52 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -110.91 134.04 52.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 m -98.96 166.6 11.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.061 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -122.55 98.79 6.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -123.51 175.61 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 6.3 ttt180 -135.53 143.41 45.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.4 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 37.8 m-85 -147.81 157.01 43.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.9 t -83.23 147.65 27.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.456 ' CG ' HG21 ' A' ' 8' ' ' VAL . 6.5 mtp180 -74.09 -1.88 22.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.4 m -101.35 -3.22 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.29 107.69 5.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 33' ' ' GLU . 40.8 p -53.93 133.45 43.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 64' ' ' LEU . 43.2 mm -37.98 -42.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.16 -52.65 63.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.0 mm-40 -59.5 -52.3 66.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CD2' HD13 ' A' ' 71' ' ' LEU . 1.3 t80 -42.31 -45.29 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 1.5 mttm -58.15 -40.5 81.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -56.42 -35.09 67.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.276 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -35.78 71.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.5 mt -71.29 -35.48 71.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.485 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 32.3 mt-10 -40.86 -30.08 0.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.9 mt -92.82 -42.97 9.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -51.84 -35.8 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.466 HG22 ' CE ' ' A' ' 49' ' ' MET . 0.2 OUTLIER -107.77 -31.01 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.485 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 89.13 1.86 78.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.421 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -100.94 173.77 3.42 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.03 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.03 137.4 21.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . -75.01 -19.91 59.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.33 0.75 27.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.0 m -120.72 -65.3 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.478 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.1 ptp -46.53 150.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -112.12 160.53 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.41 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 39.1 mt -115.11 144.39 43.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.83 145.13 39.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.7 tp -114.28 102.79 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.527 ' CE2' ' NH2' ' A' ' 81' ' ' ARG . 9.0 m-85 -93.8 146.92 23.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.78 -132.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.18 -72.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 3.9 t70 -52.98 -52.68 57.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 2.3 p30 154.05 60.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -116.42 110.13 18.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -61.43 140.63 58.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -114.75 -76.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.16 172.49 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.956 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.07 135.89 44.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.499 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -86.34 68.77 10.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.3 -46.34 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.487 ' CG ' ' HB1' ' A' ' 69' ' ' ALA . 22.6 tp60 -41.42 103.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -71.0 -42.46 69.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -13.97 31.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.487 ' HB1' ' CG ' ' A' ' 66' ' ' GLN . . . -83.61 158.13 22.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 mt -119.38 148.31 43.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.568 HD13 ' CD2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -64.32 103.07 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.247 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 147.56 -40.37 0.98 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -19.57 65.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.435 ' CD2' HD11 ' A' ' 64' ' ' LEU . 11.8 m-85 -86.16 169.03 16.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.052 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 55.39 3.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.36 167.81 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -174.52 165.21 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.25 100.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.78 -21.44 2.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.4 m -68.67 -173.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.527 ' NH2' ' CE2' ' A' ' 54' ' ' TYR . 33.2 ttp180 -136.17 142.24 44.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.464 ' CD1' HD23 ' A' ' 64' ' ' LEU . 3.6 mm -115.01 99.89 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 70.7 t60 -84.94 97.57 9.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.563 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.478 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 96.4 t -77.32 109.36 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.0 mt -76.01 102.62 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 2.6 p-10 -57.53 116.28 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.628 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.44 ' CG2' ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -138.03 128.11 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.5 mtt -84.33 110.94 18.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.79 148.35 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -91.88 102.5 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.408 ' CD1' ' HB ' ' A' ' 82' ' ' ILE . 11.0 mm -84.15 146.49 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 p -152.86 -176.45 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -171.28 165.65 7.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 t -78.11 -23.05 48.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.98 -61.98 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -108.11 119.61 39.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.36 71.45 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -169.82 157.63 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -100.03 146.66 26.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -112.01 167.69 10.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.987 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -122.97 98.54 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -120.6 173.66 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 10.3 ttt180 -138.14 143.64 40.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.415 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 14.1 m-85 -149.51 161.55 41.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 111.051 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -86.05 145.58 27.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.44 ' HG2' ' CG2' ' A' ' 8' ' ' VAL . 6.7 mtt180 -70.14 -7.15 39.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.47 -19.66 19.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.975 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 mt -57.8 121.32 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 33' ' ' GLU . 1.4 p -68.57 136.05 52.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.454 ' CG2' ' HE3' ' A' ' 35' ' ' LYS . 28.0 mm -37.51 -49.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.31 -51.99 49.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 30' ' ' THR . 5.1 mm-40 -65.53 -53.5 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.51 ' CD2' HD13 ' A' ' 71' ' ' LEU . 3.4 t80 -41.43 -46.27 3.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' HE3' ' CD1' ' A' ' 51' ' ' LEU . 24.9 mttt -62.94 -41.11 99.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -50.42 -32.79 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 108.316 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 8.9 mptt -75.1 -37.62 61.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.481 ' CD1' HD22 ' A' ' 51' ' ' LEU . 19.6 mt -70.88 -29.22 65.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.452 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 47.9 mt-10 -44.75 -31.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.32 -30.49 15.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.113 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' LEU . 84.0 t -61.71 -40.52 87.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -105.04 -26.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 86.75 7.46 78.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.28 168.6 8.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.23 20.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.74 -21.86 62.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.1 2.4 20.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 66.7 m -122.21 -65.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.272 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.488 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.3 ptp -44.89 159.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -123.24 160.38 26.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.481 HD22 ' CD1' ' A' ' 38' ' ' LEU . 40.7 mt -109.42 161.11 15.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 56.0 mt-10 -157.19 128.42 6.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.6 tp -100.88 109.25 21.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -93.18 146.59 23.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 111.04 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.71 -140.28 0.66 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.04 -73.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 58' ' ' ASP . 24.6 t0 -75.14 57.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER 39.49 74.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.91 98.96 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.555 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 0.8 OUTLIER -50.74 137.86 19.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -115.73 -80.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.46 164.54 19.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.469 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -104.81 132.28 51.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.566 HD11 ' CD2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -80.87 72.32 7.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -93.17 -39.84 10.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 20.0 tp60 -49.64 116.53 1.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -81.3 -36.19 30.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -3.47 35.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -78.02 173.68 11.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.448 HD21 ' CG2' ' A' ' 30' ' ' THR . 1.6 mt -141.19 141.05 34.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.51 HD13 ' CD2' ' A' ' 34' ' ' PHE . 1.8 mt -57.2 102.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.54 -46.64 0.62 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.97 -18.87 15.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 0.74 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.566 ' CD2' HD11 ' A' ' 64' ' ' LEU . 47.9 m-85 -95.53 166.24 15.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 54.7 3.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.467 1.772 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 77' ' ' ASP . 12.3 p -118.5 156.87 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.414 ' N ' HG22 ' A' ' 76' ' ' VAL . 27.2 t0 -159.83 164.56 33.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.99 92.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 149.85 -28.3 1.15 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.74 -170.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 ttm105 -134.2 140.91 46.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.408 ' HB ' ' CD1' ' A' ' 12' ' ' ILE . 3.8 mm -118.61 100.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -82.92 120.97 26.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.65 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.488 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 23.3 t -97.99 116.49 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.0 mt -87.79 103.34 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.85 98.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 109.648 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.419 HG23 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -132.66 129.01 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 109.34 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.48 107.67 20.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.7 m -111.08 151.37 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -93.78 102.38 14.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.413 ' CD1' ' HB ' ' A' ' 82' ' ' ILE . 5.7 mm -84.2 128.37 38.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.14 164.53 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.424 ' CB ' HG11 ' A' ' 42' ' ' VAL . 82.8 p -155.01 148.16 24.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.409 ' CB ' ' OD1' ' A' ' 86' ' ' ASP . 0.2 OUTLIER -63.03 -17.41 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.043 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 86' ' ' ASP . 2.1 mt -70.82 -45.49 64.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -108.41 118.84 37.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.65 70.24 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 178.99 -177.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -119.55 133.0 55.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.9 m -93.28 163.12 13.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -122.92 98.98 6.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -126.45 178.72 5.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -134.94 146.3 49.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -151.6 141.29 21.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 24.3 t -72.26 128.66 36.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.419 ' CG ' HG23 ' A' ' 8' ' ' VAL . 11.4 mtm180 -50.93 -20.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.8 p -69.86 -36.82 75.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.167 . . . . 0.0 110.028 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 26' ' ' SER . 10.1 mt -43.58 118.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 31' ' ' ILE . 1.3 p -73.26 137.71 45.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.485 ' C ' ' O ' ' A' ' 30' ' ' THR . 15.2 mm -32.84 -48.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.1 -61.45 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.7 mm-40 -56.08 -52.82 62.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.508 ' CE2' HD13 ' A' ' 71' ' ' LEU . 1.3 t80 -39.3 -44.25 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -62.61 -48.8 77.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.5 OUTLIER -46.6 -33.04 3.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -72.39 -47.28 50.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 34' ' ' PHE . 7.0 mt -58.57 -34.53 71.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.42 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 44.4 mt-10 -46.19 -30.36 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.82 -27.82 16.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' LEU . 43.4 t -70.18 -44.1 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.463 HG21 ' CE ' ' A' ' 49' ' ' MET . 0.3 OUTLIER -96.98 -32.57 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 91.82 1.85 70.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.426 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.2 OUTLIER -102.13 173.96 3.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.026 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.05 138.69 23.25 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . . . -75.29 -19.31 59.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.4 5.23 18.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 77.6 m -126.23 -63.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.478 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.4 ptp -45.58 148.9 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -110.64 153.62 24.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.446 ' CD2' HD13 ' A' ' 38' ' ' LEU . 16.5 mt -110.59 144.84 38.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 3.4 mt-10 -140.57 137.92 34.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 12.9 tp -112.26 107.75 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 55' ' ' GLY . 55.8 m-85 -102.07 148.54 25.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 54' ' ' TYR . . . -58.2 -118.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -107.5 -69.91 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -61.7 -47.57 84.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER 159.32 46.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -95.97 96.86 9.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -60.03 130.96 49.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.402 ' CE2' ' HA2' ' A' ' 55' ' ' GLY . 9.5 m-85 -106.35 -79.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -138.3 169.77 17.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -103.7 132.14 50.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.5 81.05 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -105.66 -53.51 2.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.448 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 28.7 tp60 -42.95 115.02 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.38 -41.14 48.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.47 -14.32 62.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -75.65 143.61 42.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.469 ' CD2' HG22 ' A' ' 30' ' ' THR . 63.4 mt -104.23 132.72 50.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.508 HD13 ' CE2' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -52.71 101.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.28 -54.57 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.84 -27.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.402 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 30.9 m-85 -79.16 168.44 26.84 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.461 ' HD2' ' CD2' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 55.56 3.98 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.456 1.766 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.8 p -104.99 168.58 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -169.02 153.82 5.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.02 98.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.63 -7.04 4.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.9 p -57.5 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -146.63 111.35 5.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.413 ' HB ' ' CD1' ' A' ' 12' ' ' ILE . 5.4 mm -95.62 100.45 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -87.05 109.62 19.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.566 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.478 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 25.5 t -89.87 107.26 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.7 mt -79.55 102.79 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.47 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -54.21 98.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.463 ' CG2' ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -129.5 129.21 66.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.561 0.8 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 mtp -85.15 117.25 23.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 m -124.95 150.59 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -92.05 103.28 15.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 mm -84.4 135.34 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.11 -178.01 4.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.442 ' OG ' ' ND2' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -170.79 161.61 7.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.024 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.68 -15.5 51.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.2 -63.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.442 ' ND2' ' OG ' ' A' ' 14' ' ' SER . 2.6 p30 -74.09 -36.52 64.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.97 32.7 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -143.78 172.96 12.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -102.69 129.17 49.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.6 m -104.26 171.74 7.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -122.44 98.67 6.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 4.5 mmtt -122.84 174.7 6.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.526 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 14.4 ttt-85 -138.11 146.75 43.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.526 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 28.4 m-85 -152.17 149.99 29.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.2 t -77.21 149.17 35.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.963 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.463 ' HG2' ' CG2' ' A' ' 8' ' ' VAL . 8.3 mtt180 -73.7 -1.81 20.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.358 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.93 -0.3 29.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.3 mt -76.28 112.5 12.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' GLU . 33.5 p -57.8 133.31 55.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.457 ' CG2' ' HE3' ' A' ' 35' ' ' LYS . 42.6 mm -38.36 -42.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.8 -51.75 68.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.4 mm-40 -62.68 -47.71 82.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -45.46 -47.06 13.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 22.4 mttt -60.11 -43.57 95.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.85 -36.55 7.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.351 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 13.3 mptt -72.99 -38.84 66.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' LYS . 20.0 mt -66.34 -28.42 68.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.429 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 42.0 mt-10 -50.17 -30.85 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.2 mt -92.59 -23.54 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.64 -42.78 80.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.417 ' CG2' ' HE2' ' A' ' 49' ' ' MET . 0.7 OUTLIER -105.55 -10.74 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.429 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 69.07 12.8 65.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.563 1.164 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -109.23 172.54 3.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.753 . . . . 0.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.86 20.86 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.485 1.782 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . . . -77.21 -19.77 56.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.75 3.01 20.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.9 m -123.61 -64.98 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.457 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.9 ptp -45.17 160.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -120.05 167.04 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.454 HD12 ' CE ' ' A' ' 35' ' ' LYS . 12.2 mt -119.77 162.7 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.449 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 40.5 mt-10 -155.0 135.29 13.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.9 tp -109.5 103.26 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.519 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 62.5 m-85 -99.8 143.12 30.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.99 -130.36 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.27 -71.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ASP . 5.3 t70 -74.01 57.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.519 ' OD1' ' CD2' ' A' ' 54' ' ' TYR . 26.8 t0 38.41 58.54 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.92 111.99 23.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -61.57 133.54 55.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -110.27 -67.5 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.08 169.96 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.038 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.53 130.06 50.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.43 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -82.03 69.27 8.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -95.49 -42.96 8.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.472 ' CG ' ' HB1' ' A' ' 69' ' ' ALA . 2.7 tp-100 -47.14 109.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -31.89 57.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.36 0.4 25.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.472 ' HB1' ' CG ' ' A' ' 66' ' ' GLN . . . -87.23 174.07 8.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.433 ' CD2' HG21 ' A' ' 30' ' ' THR . 1.2 mt -140.29 147.91 40.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 27' ' ' ARG . 1.2 mt -59.75 117.95 5.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 132.03 -56.29 0.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.02 -25.92 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 110.023 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.417 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 30.1 m-85 -86.75 168.8 16.84 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.98 55.51 3.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 p -103.17 176.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -175.49 141.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -49.96 96.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.3 -14.87 2.99 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -137.58 124.51 21.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.9 mm -106.5 100.06 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -88.91 124.19 33.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.562 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.457 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 64.7 t -98.35 126.6 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.6 mt -95.76 102.69 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -57.64 103.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.566 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -129.04 128.24 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.48 110.41 12.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 m -122.55 146.46 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -92.15 104.04 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.449 HG21 ' CD2' ' A' ' 38' ' ' LEU . 14.4 mm -84.33 134.98 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 p -135.43 154.18 51.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.942 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.439 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 27.8 p -145.34 142.74 29.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -8.46 53.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.5 ' CD1' ' OD1' ' A' ' 86' ' ' ASP . 3.9 mt -78.43 -46.84 18.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.2 -26.84 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t 60.29 50.72 5.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -163.19 163.73 25.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.161 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -94.89 124.11 38.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -98.74 168.49 10.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -122.5 99.28 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -126.06 175.37 7.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 2.6 ttt-85 -138.6 147.46 42.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 52.4 m-85 -152.81 154.53 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.9 t -78.23 148.04 34.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.459 ' HG2' ' CG2' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -74.25 -1.86 22.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.81 -0.49 34.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.9 mt -75.5 111.91 11.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' GLU . 74.3 p -56.91 133.85 54.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 66' ' ' GLN . 47.5 mm -37.39 -43.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.06 -53.81 52.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.3 mm-40 -61.1 -45.74 93.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.495 ' CE2' HD12 ' A' ' 71' ' ' LEU . 1.8 t80 -46.95 -47.08 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 38' ' ' LEU . 4.3 mttm -62.92 -45.88 90.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -44.43 -33.44 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 108.318 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -74.94 -45.4 42.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' CD2' HG21 ' A' ' 12' ' ' ILE . 22.5 mt -61.05 -32.24 71.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.533 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 64.5 mt-10 -44.8 -34.74 2.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.227 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.493 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -86.29 -41.62 14.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.9 t -49.49 -42.29 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.439 ' CG1' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -103.2 -29.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 87.57 20.88 49.99 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.415 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -119.66 173.6 3.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.0 139.16 23.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . -79.05 -20.56 48.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.51 4.42 18.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 90.8 m -121.63 -57.88 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.317 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.432 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 5.5 ptp -57.85 148.63 24.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -108.17 157.64 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 38' ' ' LEU . 13.9 mt -114.94 163.37 15.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.489 ' OE2' ' CE1' ' A' ' 60' ' ' PHE . 21.3 mt-10 -158.56 140.79 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.1 tp -105.88 131.82 52.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -121.74 151.04 40.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.72 -125.35 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.5 -70.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 58' ' ' ASP . 19.5 t0 -73.47 58.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' ASP . 77.9 m-20 39.4 68.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -120.78 110.47 16.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.489 ' CE1' ' OE2' ' A' ' 52' ' ' GLU . 59.6 t80 -56.04 137.19 51.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -115.28 -74.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.59 169.32 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.472 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -105.82 125.05 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.437 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -72.93 63.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -79.89 -46.14 17.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.431 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 33.5 tp60 -45.97 145.1 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -111.88 -30.45 7.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.3 1.73 43.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.424 ' HB2' ' CG ' ' A' ' 66' ' ' GLN . . . -82.81 177.38 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.2 mt -139.95 152.26 46.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.495 HD12 ' CE2' ' A' ' 34' ' ' PHE . 1.1 mt -66.15 111.82 3.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.404 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 140.88 -56.28 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.43 -26.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.463 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 71.7 m-85 -86.74 167.92 20.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.0 56.98 4.42 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 p -103.48 179.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -175.02 162.14 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.95 90.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.77 -15.46 2.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.19 -170.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -136.7 138.15 40.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 6.4 mm -118.27 99.85 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -82.43 131.84 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.589 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.432 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 69.6 t -109.95 119.33 58.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.5 mt -87.53 102.64 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.5 ' OD1' ' CD1' ' A' ' 16' ' ' LEU . 29.5 t70 -54.44 104.52 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.619 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.456 ' CG2' ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -130.43 123.76 56.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.796 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.5 mtm -75.08 109.45 8.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.53 147.23 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -92.45 103.05 15.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.5 mm -84.25 151.63 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.1 p -155.56 166.3 33.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.431 ' CB ' HG11 ' A' ' 42' ' ' VAL . 21.3 p -154.78 154.48 32.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.21 -26.62 66.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -57.76 11.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -96.94 120.7 37.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.16 60.93 2.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -166.57 176.72 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.47 143.79 43.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -110.69 165.81 11.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -123.07 98.77 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -121.78 174.88 6.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 4.6 ttt180 -135.92 143.65 45.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.41 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 57.8 m-85 -150.46 134.91 17.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 16.4 t -66.36 133.89 51.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.456 ' HG2' ' CG2' ' A' ' 8' ' ' VAL . 5.6 mtt180 -53.02 -18.94 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.6 m -71.54 -37.68 71.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 26' ' ' SER . 8.8 mt -43.28 111.53 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 31' ' ' ILE . 59.8 p -65.11 137.55 57.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' A' ' 30' ' ' THR . 40.8 mm -34.23 -43.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.58 -58.54 7.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' THR . 5.5 mm-40 -56.51 -43.32 79.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CD2' HD11 ' A' ' 71' ' ' LEU . 1.3 t80 -48.19 -48.36 34.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -59.96 -47.92 83.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 1.8 t -46.32 -35.35 5.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.331 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -72.84 -48.15 40.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.48 ' CD1' HD22 ' A' ' 51' ' ' LEU . 42.3 mt -58.95 -36.78 75.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.525 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 27.7 mt-10 -39.38 -39.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.586 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -81.24 -42.11 21.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' LEU . 97.2 t -50.08 -54.71 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.431 HG11 ' CB ' ' A' ' 14' ' ' SER . 1.3 m -90.42 -18.91 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 75.87 10.83 84.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.416 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -107.54 173.87 2.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.966 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.06 142.12 27.28 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.788 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . . . -82.77 -15.26 52.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.89 3.9 27.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.3 m -124.48 -62.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.312 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.472 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 5.9 ptp -49.99 152.34 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -113.94 166.09 11.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.48 HD22 ' CD1' ' A' ' 38' ' ' LEU . 36.8 mt -118.27 145.25 45.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -139.41 143.11 37.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.461 HD11 ' CG2' ' A' ' 76' ' ' VAL . 14.0 tp -114.44 103.22 10.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -93.78 149.55 21.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.425 ' HA3' ' CG ' ' A' ' 59' ' ' LYS . . . -79.97 -137.13 1.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.52 -73.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' ASP . 4.3 m-20 -73.77 57.36 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' ASP . 17.2 t70 37.67 72.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' CG ' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -123.81 105.33 9.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -58.78 135.63 57.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -109.27 -79.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.34 167.23 18.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.04 136.6 38.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.405 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -88.86 70.53 8.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -95.64 -50.3 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.483 ' CG ' ' HB3' ' A' ' 69' ' ' ALA . 27.7 tp60 -40.25 103.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.01 -41.17 64.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.93 -12.48 37.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.483 ' HB3' ' CG ' ' A' ' 66' ' ' GLN . . . -82.65 156.28 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.6 mt -113.01 143.47 44.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -61.69 101.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.15 -47.93 0.54 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.87 -27.12 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 0.791 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -80.88 166.86 36.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.98 4.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.461 ' CG2' HD11 ' A' ' 53' ' ' LEU . 9.9 p -125.44 166.8 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -174.36 170.44 3.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -60.03 101.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.88 -24.88 2.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.1 m -67.92 -172.83 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 81' ' ' ARG . 22.7 ttm105 -134.13 144.07 48.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.2 mm -120.47 104.29 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -88.69 107.57 19.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.629 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.472 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 95.7 t -85.49 119.34 33.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 57.2 mt -87.79 102.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.19 101.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.54 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.72 122.7 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.0 mtt -75.98 115.24 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.2 m -115.32 149.55 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -92.33 104.54 16.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 mm -83.98 147.28 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.35 127.76 6.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.419 ' CB ' HG13 ' A' ' 42' ' ' VAL . 10.5 p -127.25 148.28 50.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -24.68 67.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.051 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mt -64.82 -49.83 69.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -93.43 132.63 37.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -87.41 52.18 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -170.87 178.47 3.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.51 149.47 23.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.76 127.16 54.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -98.84 97.99 9.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 28.0 mmtt -112.23 -179.46 3.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 3.9 ttt180 -138.6 140.86 39.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 12.2 m-85 -153.04 161.57 42.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 t -91.56 148.46 22.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 71' ' ' LEU . 8.2 mtm180 -71.63 -4.77 29.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.3 m -94.97 -13.71 25.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.0 mt -64.59 121.17 13.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 33' ' ' GLU . 30.2 p -66.97 135.64 54.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' THR . 46.8 mm -36.46 -39.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.69 -56.35 18.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' THR . 7.6 mm-40 -59.46 -48.63 80.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.442 ' CD2' HD13 ' A' ' 71' ' ' LEU . 2.3 t80 -42.25 -50.79 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 11.9 mttm -60.56 -46.94 88.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -44.1 -33.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -73.24 -46.74 48.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 51' ' ' LEU . 20.2 mt -59.02 -32.05 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 59.2 mt-10 -48.7 -28.15 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.41 -25.38 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' LEU . 24.3 t -73.38 -58.8 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.437 HG23 ' CE ' ' A' ' 49' ' ' MET . 2.0 m -81.06 -32.28 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 90.95 2.6 71.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.91 172.24 4.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.003 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.61 21.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . . . -73.39 -20.43 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.34 4.41 17.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 79.4 m -125.84 -62.35 1.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 108.33 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.485 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 5.6 ptp -50.06 143.37 8.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -110.96 154.56 23.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 38' ' ' LEU . 8.5 mt -116.23 155.47 28.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HG2' ' CE1' ' A' ' 60' ' ' PHE . 17.5 mt-10 -147.38 146.0 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.429 ' CD1' HG22 ' A' ' 76' ' ' VAL . 12.6 tp -106.5 102.43 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.438 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 52.3 m-85 -98.83 150.85 21.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . -59.67 -119.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.11 -69.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 1.4 m-20 -60.76 -48.07 83.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 1.5 m-20 156.66 70.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.2 mttt -124.75 101.11 6.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 18.9 t80 -58.6 141.84 51.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' LEU . 3.9 m-30 -115.5 -82.58 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.1 m -122.96 164.04 19.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HG2' ' CZ ' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -100.91 134.67 43.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -85.83 50.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -42.67 68.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.406 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -56.7 118.8 5.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 68' ' ' ASP . 3.3 pt-20 -86.59 -36.61 18.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.433 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 50.7 t0 -69.28 -8.25 44.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.406 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -76.27 173.9 10.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 30' ' ' THR . 5.0 mt -134.47 153.11 52.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.442 HD13 ' CD2' ' A' ' 34' ' ' PHE . 1.5 mt -68.38 101.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.85 -48.65 0.53 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.97 -23.94 14.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -89.45 166.16 22.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 54.34 3.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.516 1.798 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' CD1' ' A' ' 53' ' ' LEU . 1.0 OUTLIER -118.57 174.22 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 178.95 167.74 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.83 100.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.27 -17.24 3.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.428 ' CB ' HG22 ' A' ' 76' ' ' VAL . 6.8 m -65.81 -173.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -133.95 134.34 42.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 30.5 mm -115.82 102.54 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -82.66 112.14 19.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.597 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.485 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 38.6 t -87.79 94.88 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.6 mt -68.75 102.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.38 100.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.619 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.44 127.06 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -73.27 101.52 3.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.6 m -117.21 143.6 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -92.54 104.56 16.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.445 ' CD1' ' HB ' ' A' ' 82' ' ' ILE . 8.2 mm -84.34 148.01 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 p -153.74 167.06 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.472 ' CB ' HG11 ' A' ' 42' ' ' VAL . 23.3 p -161.93 159.04 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 t -72.7 -17.96 61.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -71.96 -54.09 11.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -84.12 -29.25 26.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER 76.1 -60.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.6 169.44 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.05 146.77 24.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -113.96 167.89 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -122.87 100.1 6.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -128.4 173.3 10.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.519 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -133.6 152.89 51.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.331 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 26.1 m-85 -155.52 151.39 27.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' LEU . 22.9 t -82.29 122.89 28.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 71' ' ' LEU . 7.2 mtt180 -43.83 -25.99 0.23 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 26' ' ' SER . 15.6 m -64.36 -40.59 96.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' SER . 9.6 mt -40.02 121.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.473 HG22 ' CD2' ' A' ' 70' ' ' LEU . 66.6 p -73.5 138.78 45.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' THR . 31.5 mm -35.62 -44.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.51 -56.51 20.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.088 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -59.98 -48.04 83.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.559 ' CD2' HD12 ' A' ' 71' ' ' LEU . 1.4 t80 -43.06 -48.39 6.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.93 -48.5 80.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' LYS . 1.3 t -40.97 -35.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 108.307 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -73.61 -51.2 17.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.554 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 34.3 mt -51.14 -32.15 22.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.499 ' OE2' ' CB ' ' A' ' 46' ' ' ALA . 80.5 mt-10 -48.39 -27.58 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.52 -26.94 17.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' LEU . 55.5 t -70.12 -45.56 75.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.472 HG11 ' CB ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -95.01 -32.89 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 90.36 22.14 35.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -125.32 171.36 7.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.35 22.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.499 ' CB ' ' OE2' ' A' ' 39' ' ' GLU . . . -63.12 -19.13 64.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -5.56 58.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' HIS . 76.4 m -127.66 30.65 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.51 137.25 21.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -105.68 173.02 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.554 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 92.9 mt -124.43 165.84 17.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 21.7 mt-10 -158.38 137.53 11.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 76' ' ' VAL . 15.7 tp -111.02 103.46 11.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.455 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 64.1 m-85 -100.32 137.42 38.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.05 -140.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.8 -73.63 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 58' ' ' ASP . 6.6 t0 -74.48 58.0 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.451 ' OD1' ' CD2' ' A' ' 54' ' ' TYR . 21.9 t0 39.41 76.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -128.61 98.51 5.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -50.07 138.21 16.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -116.3 -72.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 m -135.19 173.7 11.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.97 127.97 54.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -84.36 68.76 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.66 -46.5 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.455 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 11.0 tp60 -43.81 108.97 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.87 -35.67 64.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.06 -11.85 60.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -80.6 150.77 29.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CD2' HG22 ' A' ' 30' ' ' THR . 55.6 mt -109.48 132.63 53.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.559 HD12 ' CD2' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -53.22 101.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.86 -51.53 0.47 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 p -45.73 -28.18 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.018 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.452 ' CE2' HD12 ' A' ' 64' ' ' LEU . 49.0 m-85 -79.13 165.53 48.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 56.03 4.1 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.477 HG23 ' CB ' ' A' ' 80' ' ' CYS . 7.4 p -121.11 163.83 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.64 169.11 6.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -56.59 104.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 134.16 -20.28 4.02 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.477 ' CB ' HG23 ' A' ' 76' ' ' VAL . 1.3 m -64.74 -171.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -135.64 138.85 43.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.445 ' HB ' ' CD1' ' A' ' 12' ' ' ILE . 21.7 mm -119.61 99.75 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -86.38 120.14 27.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.609 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.8 t -95.43 108.18 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.1 mt -79.55 102.6 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -54.58 104.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.2 m-70 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.615 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.455 ' CG2' ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -128.78 128.04 67.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.0 mtm -79.63 120.2 23.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.82 150.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -91.92 103.79 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 mm -83.88 135.45 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.84 170.51 13.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 p -167.72 129.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.039 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.93 -22.95 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.24 -58.69 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -72.11 154.57 41.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -55.85 4.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.044 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -96.56 -176.66 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -95.79 164.76 12.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -116.33 166.6 11.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -123.15 98.59 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -120.42 175.13 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -138.45 144.63 40.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -147.06 157.46 43.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -82.74 147.21 28.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.455 ' HG2' ' CG2' ' A' ' 8' ' ' VAL . 6.7 mtt180 -72.28 -3.67 25.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.92 -9.99 23.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 mt -67.65 111.13 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' GLU . 72.8 p -59.18 133.72 56.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' THR . 39.2 mm -36.2 -46.1 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.95 -54.65 42.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.2 mm-40 -59.03 -53.24 60.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -41.64 -47.92 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -58.56 -40.31 82.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -53.65 -33.95 56.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 108.288 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 8.5 mptt -74.54 -38.23 62.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.467 ' CD1' HD21 ' A' ' 51' ' ' LEU . 15.4 mt -68.77 -32.0 71.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.508 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 29.4 mt-10 -41.66 -35.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.1 mt -88.89 -44.61 10.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -46.07 -38.24 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -111.13 -15.39 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 70.05 20.66 76.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.962 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -115.73 173.95 2.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 0.0 109.986 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.06 130.87 13.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.797 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.478 ' CB ' ' CG ' ' A' ' 39' ' ' GLU . . . -75.77 -14.52 60.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.67 2.86 35.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 m -124.31 -63.11 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.473 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.4 ptp -46.6 149.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -109.87 162.74 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 38' ' ' LEU . 35.5 mt -116.85 146.91 42.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -138.95 130.65 27.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.8 tp -106.12 102.14 11.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -97.3 146.93 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.14 -131.88 0.09 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.76 -71.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ASP . 10.5 t0 -73.35 58.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER 38.06 61.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.03 110.58 19.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -58.84 133.51 56.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -112.26 -72.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.09 169.97 16.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -105.3 135.9 45.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.435 HD11 ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -90.81 64.4 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.36 -43.83 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.416 ' HG2' ' CB ' ' A' ' 69' ' ' ALA . 6.2 tp60 -46.97 113.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -36.47 53.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -8.31 53.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.416 ' CB ' ' HG2' ' A' ' 66' ' ' GLN . . . -80.19 172.05 14.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mt -141.04 149.03 41.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' A' ' 27' ' ' ARG . 1.4 mt -59.55 113.8 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.412 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 136.76 -56.25 0.69 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.8 -26.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.448 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 39.7 m-85 -88.4 168.5 16.05 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.03 55.4 3.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.9 p -103.15 176.42 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -178.57 144.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -51.05 97.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.72 -13.73 3.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.9 -169.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -137.07 133.05 34.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.228 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 11.6 mm -113.54 102.2 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -90.25 111.0 22.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.473 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 63.8 t -88.35 120.35 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 72.7 mt -91.88 102.77 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -58.98 106.63 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.607 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.74 134.0 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.2 mtp -91.34 111.47 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m -118.73 147.78 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -92.11 102.53 15.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.1 mm -84.33 149.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.6 t -149.09 -176.34 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.463 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 57.2 p -173.24 160.07 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.77 -10.98 59.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.16 -56.31 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 18' ' ' SER . 1.5 m-80 -83.91 -31.24 25.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER 78.58 -60.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.998 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -60.59 157.01 15.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -85.95 148.26 25.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -114.85 172.11 7.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.036 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.46 98.97 6.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -123.09 172.81 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -138.86 145.06 39.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -153.24 143.74 22.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.8 t -66.98 146.95 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 5.5 mtt180 -73.79 -2.56 24.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.9 m -100.62 -1.33 35.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.26 112.67 11.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' GLU . 81.5 p -56.39 132.61 51.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.374 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' THR . 37.6 mm -36.89 -43.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.63 -54.11 49.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.6 mm-40 -60.83 -43.67 97.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CD2' HD13 ' A' ' 71' ' ' LEU . 1.8 t80 -49.39 -46.93 48.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' NZ ' HG22 ' A' ' 31' ' ' ILE . 20.8 mttt -63.63 -44.44 93.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.98 -27.58 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -80.36 -49.07 12.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' VAL . 14.3 mt -56.74 -27.57 59.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.47 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 28.4 mt-10 -42.27 -32.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -92.22 -35.3 13.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' LEU . 89.0 t -56.78 -36.36 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 14' ' ' SER . 0.2 OUTLIER -112.51 -12.88 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 68.64 16.17 69.52 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.949 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -109.48 162.04 21.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 130.94 13.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.47 ' HB3' ' CG ' ' A' ' 39' ' ' GLU . . . -63.62 -12.99 37.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.71 1.56 51.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' HIS . 82.2 m -145.24 37.62 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.453 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -147.25 134.25 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -106.7 156.07 19.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 mt -110.29 153.4 24.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -141.39 135.45 30.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.402 HD13 ' CG2' ' A' ' 76' ' ' VAL . 61.7 tp -106.79 136.36 46.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 83' ' ' HIS . 22.6 m-85 -125.19 153.9 42.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.511 ' HA3' ' CE1' ' A' ' 61' ' ' TYR . . . -73.15 -119.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.084 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.31 -69.49 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' ASP . 8.3 t70 -73.68 57.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASP . 25.9 t0 38.2 67.18 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -121.87 111.54 17.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -51.37 121.53 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.511 ' CE1' ' HA3' ' A' ' 55' ' ' GLY . 2.6 m-30 -99.37 -53.29 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.6 m -165.56 179.28 6.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.431 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -111.99 136.39 51.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -85.07 49.29 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -54.38 43.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.46 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -43.41 118.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 68' ' ' ASP . 3.4 pt-20 -87.09 -36.13 18.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 4.3 m-20 -69.12 -18.74 64.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -67.1 171.16 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.4 mt -133.35 157.54 45.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 34' ' ' PHE . 1.7 mt -71.19 101.36 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 151.4 -42.26 0.73 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.86 -20.32 66.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -90.36 167.14 17.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 54.48 3.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.402 ' CG2' HD13 ' A' ' 53' ' ' LEU . 9.8 p -119.1 167.43 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -171.58 158.35 5.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.43 96.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.38 -17.92 2.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.2 m -68.55 -170.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -132.41 145.06 50.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.8 mm -125.32 119.34 55.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 40.2 t60 -105.28 118.48 36.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.615 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.453 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 84.7 t -93.54 126.1 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 88.9 mt -95.92 102.76 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.59 101.09 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.655 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.432 HG23 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -135.61 130.58 50.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 0.745 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.6 mtt -83.17 119.06 24.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.6 m -126.7 148.22 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -92.1 103.39 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 mm -85.08 145.34 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 t -141.05 -178.02 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.7 p -173.84 132.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.413 ' CB ' ' OD1' ' A' ' 86' ' ' ASP . 0.3 OUTLIER -57.86 -24.4 57.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.57 -49.33 77.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -105.61 124.31 49.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.36 62.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 t80 179.53 160.07 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.12 155.28 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -115.03 169.43 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.939 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -122.92 98.83 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' NZ ' HG21 ' A' ' 41' ' ' VAL . 7.5 mmtt -125.66 179.39 5.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 3.4 ttp180 -138.56 146.49 41.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 53.8 m-85 -149.93 141.73 23.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -66.68 145.8 55.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.955 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 71' ' ' LEU . 2.7 mtm105 -73.19 -2.78 23.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.48 0.37 47.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 109.982 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 mt -77.2 113.19 14.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 33' ' ' GLU . 81.3 p -59.75 134.7 57.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.357 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.468 ' CG2' ' HE3' ' A' ' 35' ' ' LYS . 42.7 mm -38.07 -38.33 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.93 -53.99 37.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.4 mm-40 -62.73 -43.91 97.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -46.99 -47.28 21.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HE3' ' CG2' ' A' ' 31' ' ' ILE . 35.8 mttt -62.93 -50.82 69.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.53 -32.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -73.49 -47.95 37.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' LYS . 8.7 mt -61.08 -34.79 75.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.498 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 62.9 mt-10 -38.37 -30.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' LEU . 11.6 mt -89.83 -47.84 7.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.425 HG21 ' NZ ' ' A' ' 23' ' ' LYS . 93.7 t -47.69 -31.97 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.47 -32.06 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 85.89 25.72 37.04 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.83 168.49 13.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.789 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.56 23.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.793 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.62 -9.97 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.61 -5.59 55.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' HIS . 59.1 m -128.19 27.78 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.298 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.07 142.17 26.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -113.26 162.76 15.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 ' CD2' HG22 ' A' ' 84' ' ' VAL . 46.5 mt -122.52 139.45 53.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.373 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -122.72 142.55 50.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.9 tp -113.52 107.97 16.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -101.91 152.58 20.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.9 -132.13 0.38 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.84 -71.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -74.42 57.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER 38.81 61.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -117.07 111.0 18.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -53.37 138.11 33.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -114.88 -69.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.8 m -146.1 176.28 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.992 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.9 140.75 48.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.564 HD13 ' CE2' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -88.21 56.58 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.83 -40.29 79.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.461 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -65.65 130.16 42.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 68' ' ' ASP . 4.2 pt-20 -92.92 -36.68 12.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.422 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 1.3 m-20 -67.57 -26.39 66.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.24 171.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.43 ' CD2' ' CG2' ' A' ' 30' ' ' THR . 3.7 mt -134.38 148.83 50.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' ARG . 1.1 mt -62.05 114.0 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 137.89 -56.03 0.67 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.88 -25.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 0.736 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.564 ' CE2' HD13 ' A' ' 64' ' ' LEU . 32.6 m-85 -86.85 169.05 15.82 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.05 55.9 4.12 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.1 p -105.94 177.49 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -179.46 157.54 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 5.9 p-10 -59.68 97.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.27 -13.45 3.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.445 1.091 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.83 -172.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 81' ' ' ARG . 15.2 ttm105 -136.83 131.16 32.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.2 mm -113.71 99.95 9.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -91.94 128.94 37.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.576 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.47 HG22 ' CD2' ' A' ' 51' ' ' LEU . 37.3 t -95.34 137.95 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.8 mt -106.43 103.03 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.413 ' OD1' ' CB ' ' A' ' 15' ' ' SER . 5.8 p-10 -55.26 101.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.2 m-70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.13 132.04 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.3 mtt -85.94 118.48 25.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 m -125.64 149.39 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -92.06 103.32 15.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.8 mm -84.35 145.52 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.0 t -150.42 -179.31 7.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.41 ' CB ' HG12 ' A' ' 42' ' ' VAL . 98.3 p -170.76 155.32 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.93 -9.09 58.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mt -81.55 -56.59 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -67.14 178.4 1.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.09 -56.64 2.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -104.52 175.65 5.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -83.42 160.22 21.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -114.8 170.56 8.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.977 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -122.59 98.68 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 6.1 mmtt -123.11 175.16 6.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.537 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 1.4 ttt-85 -138.58 147.05 42.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 39.7 m-85 -152.38 147.58 26.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -73.52 146.23 45.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 71' ' ' LEU . 5.1 mtt180 -73.04 -2.69 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.77 2.61 44.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.6 mt -80.82 118.4 22.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' GLU . 29.1 p -64.36 133.39 52.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.47 ' CG2' ' HE3' ' A' ' 35' ' ' LYS . 24.3 mm -37.87 -38.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.36 -54.25 39.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.8 mm-40 -60.78 -53.52 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.08 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CE2' HD13 ' A' ' 71' ' ' LEU . 1.3 t80 -38.7 -55.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HE3' ' CG2' ' A' ' 31' ' ' ILE . 46.2 mttt -52.79 -46.08 67.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -46.63 -35.55 6.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.323 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 8.0 mptt -77.5 -40.54 42.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 23.4 mt -65.65 -27.91 68.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.515 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 48.7 mt-10 -44.5 -36.3 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -82.32 -38.84 23.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.8 t -55.5 -44.62 76.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.41 HG12 ' CB ' ' A' ' 14' ' ' SER . 0.9 OUTLIER -102.09 -7.57 9.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 60.24 25.02 61.88 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.98 168.48 11.98 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 109.952 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 133.85 16.95 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.527 1.804 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . . . -64.5 -12.72 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.0 5.59 48.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.972 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' HIS . 35.4 m -139.74 30.11 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 108.274 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.445 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -150.66 134.34 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -102.29 171.43 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.467 HD13 ' CE ' ' A' ' 35' ' ' LYS . 82.0 mt -123.41 165.81 16.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -153.73 149.83 27.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.446 HD12 ' CB ' ' A' ' 76' ' ' VAL . 15.9 tp -116.32 101.93 9.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.56 ' CE2' ' NH2' ' A' ' 81' ' ' ARG . 8.2 m-85 -94.6 143.8 26.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' HA3' ' CG ' ' A' ' 59' ' ' LYS . . . -74.47 -132.71 0.26 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.36 -72.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -75.08 57.77 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER 39.67 65.89 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.448 ' CG ' ' HA3' ' A' ' 55' ' ' GLY . 1.6 ptmt -119.06 102.65 8.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 2.5 t80 -55.61 139.17 45.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 53' ' ' LEU . 2.4 m-30 -117.74 -54.93 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.52 177.72 9.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.431 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -118.94 128.82 54.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.56 HD12 ' CE2' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -85.61 74.52 10.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.84 -44.04 4.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.31 117.86 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.241 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.12 -40.62 52.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -17.42 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.04 168.68 18.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.8 mt -139.82 145.62 38.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.56 HD13 ' CE2' ' A' ' 34' ' ' PHE . 1.5 mt -55.18 117.86 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 131.03 -53.17 0.81 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.76 -27.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 0.78 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.56 ' CE2' HD12 ' A' ' 64' ' ' LEU . 40.3 m-85 -85.62 166.54 29.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 55.51 3.97 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.446 ' CB ' HD12 ' A' ' 53' ' ' LEU . 9.9 p -121.11 169.5 12.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -167.42 165.45 14.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.17 101.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 141.46 -21.78 2.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.14 -172.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.56 ' NH2' ' CE2' ' A' ' 54' ' ' TYR . 32.1 ttp180 -131.81 138.6 48.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.4 mm -112.03 99.87 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -82.84 116.98 22.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.569 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.445 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 77.2 t -93.21 125.63 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 72.9 mt -95.81 102.78 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.06 106.65 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' CYS . 18.1 m-70 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.453 HG22 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -134.06 130.6 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.1 mtp -93.8 110.37 22.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 m -114.3 150.79 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -92.26 102.84 15.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mm -84.09 140.42 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.5 p -150.16 165.63 32.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.472 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 22.5 p -155.07 150.82 27.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -58.03 -24.62 59.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.51 -55.42 27.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -100.68 116.56 32.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.87 70.68 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -177.18 -178.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 3.8 mpt_? -123.76 135.48 53.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -101.07 169.24 9.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -122.55 98.55 5.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -120.94 173.85 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -136.65 145.71 45.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.441 ' CE1' ' HB3' ' A' ' 37' ' ' LYS . 72.7 m-85 -154.52 151.26 28.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.8 t -71.71 144.56 49.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.453 ' CG ' HG22 ' A' ' 8' ' ' VAL . 13.8 mtm180 -72.89 -4.61 32.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.13 -7.32 45.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.95 120.69 16.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.474 HG22 ' CD2' ' A' ' 70' ' ' LEU . 14.0 p -70.75 136.43 48.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.477 ' CG2' ' HE3' ' A' ' 35' ' ' LYS . 12.7 mm -36.0 -46.76 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.5 -54.55 39.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.5 mm-40 -62.3 -52.31 64.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -42.7 -51.22 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' HE3' ' CG2' ' A' ' 31' ' ' ILE . 25.7 mttt -54.01 -36.54 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -59.31 -34.83 72.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 108.316 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 2.9 mptt -71.86 -33.7 68.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 51' ' ' LEU . 19.1 mt -70.95 -28.36 64.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 44' ' ' SER . 37.4 mt-10 -50.6 -27.93 7.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.07 -30.21 15.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.0 t -66.16 -51.6 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 14' ' ' SER . 1.6 m -92.0 -17.05 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.34 3.64 66.52 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -101.85 172.09 4.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.2 22.64 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.545 1.813 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.467 ' HA ' ' CE ' ' A' ' 49' ' ' MET . . . -75.39 -1.23 22.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.09 4.6 44.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 87' ' ' HIS . 69.4 m -141.48 26.43 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -142.78 128.18 18.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.14 159.91 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 38' ' ' LEU . 17.2 mt -111.39 166.08 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -153.3 150.0 28.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 62' ' ' SER . 46.2 tp -123.89 126.92 47.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -116.41 154.47 30.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.474 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . -62.7 -131.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.7 -71.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 12.5 t70 -49.01 -54.61 14.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER 154.82 45.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -106.97 114.36 28.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -50.36 137.44 18.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.474 ' CE2' ' HA2' ' A' ' 55' ' ' GLY . 4.3 m-30 -114.16 -72.49 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 53' ' ' LEU . 3.7 m -143.28 172.87 12.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -110.41 135.85 50.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -88.73 74.08 8.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.5 -41.55 6.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -50.08 110.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -74.22 -25.59 59.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.0 0.04 46.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -92.23 160.49 15.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 30' ' ' THR . 9.4 mt -126.29 147.42 49.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 27' ' ' ARG . 1.3 mt -60.05 112.72 1.99 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 138.9 -56.95 0.63 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.63 -26.16 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.457 ' CD2' HD12 ' A' ' 64' ' ' LEU . 36.5 m-85 -87.16 168.49 17.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.97 55.23 3.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.3 p -102.78 172.33 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -177.86 147.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -49.42 101.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 132.75 -7.93 5.22 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.0 p -58.22 -162.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -152.29 113.55 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.468 ' CD1' HD21 ' A' ' 64' ' ' LEU . 11.9 mm -94.16 107.24 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -91.73 102.21 14.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.616 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.448 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 91.6 t -78.29 120.95 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.4 mt -93.35 102.86 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.7 104.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.609 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.443 HG22 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -143.62 134.58 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' GLY . 2.0 mtp -93.55 118.12 30.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.69 151.88 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -92.01 102.53 15.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.9 mm -84.17 131.52 33.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 0.0 109.352 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 p -130.13 175.73 8.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.448 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 52.4 p -159.61 143.47 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -17.08 64.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mt -75.22 -58.75 3.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -87.05 119.8 27.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.2 m -74.3 64.09 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 t80 178.85 160.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -102.66 149.16 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -112.12 168.82 9.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -123.0 98.94 6.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -123.9 175.82 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -138.53 145.21 40.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -147.0 148.71 31.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 t -70.51 144.97 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.443 ' CG ' HG22 ' A' ' 8' ' ' VAL . 9.7 mtt180 -75.46 -0.48 20.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.36 2.72 31.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.5 mt -77.8 122.86 25.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 33' ' ' GLU . 40.1 p -64.55 129.03 38.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 66' ' ' GLN . 47.1 mm -35.67 -40.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.05 -56.87 14.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.2 mm-40 -57.79 -45.98 85.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.574 ' CE2' HD11 ' A' ' 71' ' ' LEU . 1.6 t80 -47.92 -51.49 23.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.47 -37.17 67.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.32 -30.36 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -31.5 59.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.483 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 15.0 mt -76.96 -27.11 54.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.517 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 34.0 mt-10 -45.81 -35.92 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.07 -30.01 20.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 38' ' ' LEU . 85.1 t -60.29 -41.9 88.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 14' ' ' SER . 0.8 OUTLIER -106.92 -18.83 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 80.08 2.76 89.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -99.14 165.72 14.33 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 109.97 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.62 16.75 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.438 ' HA ' ' CE ' ' A' ' 49' ' ' MET . . . -68.41 -21.19 64.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 59.7 p -77.91 0.56 23.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' HIS . 66.3 m -140.11 29.49 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.438 ' CE ' ' HA ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -146.42 127.9 15.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.979 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.23 173.45 7.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.1 mt -125.23 152.99 43.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -137.81 145.16 41.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.5 tp -119.49 111.99 18.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -106.62 151.51 24.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.49 -133.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.66 -71.83 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -55.71 -50.74 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 1.6 p30 155.02 47.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -98.81 115.33 28.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.9 128.09 35.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -106.72 -61.93 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.59 171.72 17.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.43 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -114.7 128.04 56.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.546 HD13 ' CE2' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -69.2 65.56 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 63' ' ' LYS . 2.4 t70 -73.04 -53.55 10.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.508 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 7.3 tp60 -45.13 138.14 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -98.55 -38.78 9.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -11.39 60.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -66.59 168.9 8.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.6 mt -132.28 150.31 52.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.574 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.6 mt -67.55 101.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.7 -42.59 0.67 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.105 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -16.25 25.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.546 ' CE2' HD13 ' A' ' 64' ' ' LEU . 53.4 m-85 -98.97 165.31 15.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 57.4 4.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 111.042 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.3 p -109.29 154.26 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -150.26 165.08 34.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.78 98.28 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 136.41 -9.82 4.07 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.8 p -57.34 -165.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 81' ' ' ARG . 22.3 ttm105 -143.64 111.12 5.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 6.4 mm -98.05 105.32 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -92.58 126.25 37.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.635 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.415 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 20.0 t -90.83 120.3 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.3 mt -88.67 102.73 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -58.8 100.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.5 m-70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.592 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.442 ' CG2' ' HG3' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -145.59 139.63 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.1 ttm -92.72 122.93 35.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.428 ' CG1' ' SG ' ' A' ' 80' ' ' CYS . 32.7 m -130.22 143.07 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -91.87 104.28 16.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 21' ' ' SER . 19.8 mm -84.16 135.5 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.6 p -146.67 144.08 29.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.99 158.51 43.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.64 19.1 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.418 ' CG ' ' HB3' ' A' ' 86' ' ' ASP . 6.7 mt -93.01 -65.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -101.6 133.66 45.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -71.0 74.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -174.32 160.11 3.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -99.27 163.53 12.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -126.29 127.83 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.046 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -110.67 99.05 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -126.65 -179.42 4.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -136.83 143.16 42.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.405 ' CE2' ' HE1' ' A' ' 34' ' ' PHE . 35.1 m-85 -138.82 -178.74 5.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -105.32 145.69 30.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.442 ' HG3' ' CG2' ' A' ' 8' ' ' VAL . 30.9 mtm180 -75.35 -4.45 39.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.1 m -102.85 4.18 37.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' CD2' ' NZ ' ' A' ' 37' ' ' LYS . 6.5 mt -80.0 124.56 28.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' GLU . 63.1 p -65.61 128.82 37.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.464 ' C ' ' O ' ' A' ' 30' ' ' THR . 48.0 mm -35.2 -43.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.64 -57.47 12.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.8 mm-40 -56.76 -53.16 60.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.405 ' HE1' ' CE2' ' A' ' 25' ' ' TYR . 2.4 t80 -40.73 -45.8 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' HE3' ' CG2' ' A' ' 31' ' ' ILE . 20.2 mttt -60.9 -45.75 93.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.4 t -48.97 -36.82 18.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.268 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' NZ ' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.56 -38.47 77.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' VAL . 40.1 mt -67.11 -37.96 84.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.502 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 34.0 mt-10 -39.19 -34.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.5 mt -88.52 -41.83 12.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' LEU . 90.8 t -49.88 -40.93 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -103.77 -32.42 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 90.75 15.26 56.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.443 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -114.5 175.11 2.0 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.974 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.04 138.11 22.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.451 1.764 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.423 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . . . -78.96 -20.02 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.85 5.58 18.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.6 m -123.66 -58.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.312 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.438 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 7.6 ptp -55.05 149.31 12.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -108.51 157.06 18.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.456 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 6.4 mt -107.52 157.74 17.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 21.5 mt-10 -153.16 138.3 17.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.6 tp -112.25 111.45 22.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 68.2 m-85 -106.26 144.31 33.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.927 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.36 -122.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.65 -70.26 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 0.777 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ASP . 61.4 t0 -73.73 58.07 0.61 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 7.2 t0 38.34 55.45 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -108.74 112.73 25.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -58.94 135.71 57.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -111.11 -70.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.0 t -142.43 177.15 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.96 129.8 55.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -82.6 61.41 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.63 -50.5 6.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.48 ' CG ' ' HB1' ' A' ' 69' ' ' ALA . 2.9 tp-100 -41.33 107.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.05 -27.43 57.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.39 6.12 24.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.48 ' HB1' ' CG ' ' A' ' 66' ' ' GLN . . . -93.89 166.95 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.2 mt -129.84 151.85 49.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.432 ' O ' ' CA ' ' A' ' 27' ' ' ARG . 1.2 mt -64.61 109.78 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 142.75 -56.68 0.57 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.0 -25.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.441 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 31.8 m-85 -86.16 169.4 15.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.02 55.23 3.89 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.472 HG22 ' CB ' ' A' ' 80' ' ' CYS . 5.8 p -107.23 171.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -174.98 144.55 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.1 111.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 80' ' ' CYS . . . 119.58 -5.99 12.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.097 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.472 ' CB ' HG22 ' A' ' 76' ' ' VAL . 9.2 p -55.81 -168.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -148.99 111.42 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.422 ' HB ' ' CD1' ' A' ' 12' ' ' ILE . 5.2 mm -99.46 116.48 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -96.95 130.04 44.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.438 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 78.1 t -101.82 112.57 35.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 87' ' ' HIS . 64.5 mt -82.48 103.03 9.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.418 ' HB3' ' CG ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -54.38 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.561 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.09 129.07 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.5 mtt -81.82 114.69 20.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.2 m -122.59 152.59 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -91.81 102.76 15.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.7 mm -84.82 130.73 35.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.438 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -131.66 175.76 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.986 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.479 ' CB ' HG13 ' A' ' 42' ' ' VAL . 1.6 p -170.15 148.2 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -21.83 66.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mt -67.14 -50.15 62.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -77.84 166.95 22.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 t -92.08 -41.89 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.6 -166.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.438 ' CG ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -99.83 159.81 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.367 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -111.46 168.98 9.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.65 98.48 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -122.32 173.7 7.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.19 147.53 43.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -153.45 142.73 21.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.2 t -69.47 148.44 49.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 71' ' ' LEU . 6.7 mtt180 -73.26 -2.48 22.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.348 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.1 p -100.13 -5.12 28.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.4 114.0 9.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' GLU . 72.4 p -58.92 134.42 56.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.443 ' CG2' ' O ' ' A' ' 66' ' ' GLN . 44.1 mm -37.42 -42.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.89 -54.34 47.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.7 mm-40 -62.4 -42.74 99.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.19 -44.64 43.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 37' ' ' LYS . 3.6 mttm -66.32 -46.37 77.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -28.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 35' ' ' LYS . 19.0 mmtt -79.11 -50.94 10.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.451 ' CD1' HD22 ' A' ' 51' ' ' LEU . 17.8 mt -55.25 -27.06 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' GLY . 82.3 mt-10 -44.65 -57.44 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.543 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -66.16 -40.3 90.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.6 t -49.07 -63.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.479 HG13 ' CB ' ' A' ' 14' ' ' SER . 2.2 m -82.65 -8.78 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . 65.43 27.03 72.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -125.69 167.59 16.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.966 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 138.5 22.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' CB ' ' OE2' ' A' ' 39' ' ' GLU . . . -62.2 -17.0 56.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.59 2.19 49.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 87' ' ' HIS . 63.6 m -137.27 38.01 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.436 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -153.08 137.8 16.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 111.018 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.75 159.89 16.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.451 HD22 ' CD1' ' A' ' 38' ' ' LEU . 18.7 mt -114.0 149.97 34.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -143.37 139.71 30.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.337 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 76' ' ' VAL . 38.1 tp -112.32 116.98 31.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -107.72 154.1 21.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . -65.0 -124.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.161 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.69 -70.4 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -54.12 -52.06 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER 155.46 46.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 55' ' ' GLY . 22.8 tttt -102.56 114.1 28.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -59.87 136.56 58.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -109.47 -70.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.1 t -146.66 -176.91 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.7 mttp -116.53 142.56 46.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -91.11 59.71 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -71.99 -54.48 9.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.443 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -43.27 126.42 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HG2' ' N ' ' A' ' 68' ' ' ASP . 3.2 pt-20 -93.74 -36.64 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -69.62 -8.61 49.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.48 177.5 6.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.6 mt -139.26 155.64 47.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.358 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 27' ' ' ARG . 1.9 mt -70.21 105.32 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 147.69 -45.61 0.74 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.5 -22.27 42.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 110.008 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -91.57 165.76 20.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 55.3 3.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.467 ' CB ' HD11 ' A' ' 53' ' ' LEU . 8.9 p -119.08 168.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -170.98 166.46 7.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -62.42 102.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 138.51 -25.51 2.85 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.6 -170.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -136.13 121.0 18.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.1 mm -107.69 105.52 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -86.89 140.69 29.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.549 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.436 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 31.7 t -112.67 106.07 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.365 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.7 mt -78.46 102.77 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.03 97.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 48' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.94 137.65 24.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 0.794 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 ttm -93.49 111.98 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 m -122.8 143.73 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -92.37 105.18 17.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.465 ' CG2' HG11 ' A' ' 41' ' ' VAL . 8.8 mm -83.58 133.39 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.72 165.37 26.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.425 ' CB ' HG12 ' A' ' 42' ' ' VAL . 53.0 p -165.06 153.87 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.003 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -7.62 50.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 86' ' ' ASP . 0.4 OUTLIER -88.8 -45.82 9.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.89 -27.22 25.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m 70.75 -66.62 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.04 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -58.81 174.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 143.16 26.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.7 OUTLIER -107.34 142.38 37.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -113.89 98.83 7.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -127.57 -179.28 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 ttt-85 -138.41 146.41 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -149.08 178.21 8.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 t -102.71 147.7 26.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' NH2' ' O ' ' A' ' 76' ' ' VAL . 5.7 mtp180 -74.96 -1.3 21.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.82 -7.48 23.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.3 mt -67.35 109.49 3.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 33' ' ' GLU . 43.6 p -56.13 133.43 52.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' THR . 44.7 mm -36.62 -42.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.417 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . . . -61.87 -54.81 36.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.8 mm-40 -59.68 -44.02 93.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.408 ' CE1' ' CD2' ' A' ' 38' ' ' LEU . 1.5 t80 -48.41 -46.24 37.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.453 ' HG2' ' CD1' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -61.63 -49.92 74.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.72 -29.36 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.356 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -77.26 -51.14 11.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 41' ' ' VAL . 17.5 mt -53.63 -28.45 32.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.448 ' CG ' ' HB3' ' A' ' 46' ' ' ALA . 31.7 mt-10 -47.41 -31.59 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.247 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.25 -25.95 18.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.465 HG11 ' CG2' ' A' ' 12' ' ' ILE . 44.9 t -71.06 -42.07 76.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.425 HG12 ' CB ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -103.12 -8.43 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.94 21.25 60.98 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -118.68 168.88 8.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.933 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 136.19 20.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.553 1.817 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.448 ' HB3' ' CG ' ' A' ' 39' ' ' GLU . . . -71.66 -5.77 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.75 4.7 52.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' HIS . 57.7 m -144.11 33.33 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.308 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.436 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -148.4 129.95 14.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -96.83 159.14 15.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.453 ' CD1' ' HG2' ' A' ' 35' ' ' LYS . 39.5 mt -115.37 141.55 47.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -132.87 148.48 52.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.3 tp -119.22 107.73 13.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -101.2 154.53 18.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.16 -120.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.74 -69.59 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.746 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 4.1 m-20 -63.57 -47.49 81.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 2.7 t70 159.11 72.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -127.03 95.11 4.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -53.77 138.8 34.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -114.65 -78.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.14 171.06 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -108.64 132.93 53.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.446 HD11 ' CE2' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -76.96 57.12 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -66.58 -52.6 43.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.423 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -52.22 123.71 11.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HG2' ' N ' ' A' ' 68' ' ' ASP . 3.7 pt-20 -89.26 -35.77 15.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -67.11 -15.27 63.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.03 173.81 6.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.81 160.88 37.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 27' ' ' ARG . 2.1 mt -75.12 104.79 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 148.14 -44.52 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -15.79 59.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 110.028 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.446 ' CE2' HD11 ' A' ' 64' ' ' LEU . 20.3 m-85 -94.11 168.42 11.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 54.43 3.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.45 HG23 ' CB ' ' A' ' 80' ' ' CYS . 8.9 p -122.96 168.3 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -174.96 164.15 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -51.89 117.56 2.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 117.01 -24.9 9.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.45 ' CB ' HG23 ' A' ' 76' ' ' VAL . 4.6 m -55.62 -172.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -137.57 142.31 41.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 11.7 mm -121.15 102.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -89.94 119.29 30.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.603 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.436 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 58.6 t -94.04 126.66 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.4 mt -96.93 103.82 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -57.24 106.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.4 m-70 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.631 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.66 131.58 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.2 mtt -89.74 112.66 24.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.1 m -120.46 153.72 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -91.95 103.38 15.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.443 ' CD1' ' HB ' ' A' ' 82' ' ' ILE . 12.0 mm -85.65 139.38 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.464 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 94.2 p -140.24 177.88 7.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.452 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 21.8 p -163.84 137.24 5.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -24.23 67.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.08 -50.08 71.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -99.0 127.39 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.01 60.11 1.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 179.54 161.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.464 ' CG ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -105.93 163.71 12.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.27 173.04 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -122.11 98.01 5.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 10.1 mmtt -113.85 177.1 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 5.2 ttt-85 -138.51 146.86 42.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 38' ' ' LEU . 35.0 m-85 -153.76 148.47 26.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.9 t -73.99 146.93 43.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 6.5 mtt180 -74.76 -1.66 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 m -103.09 -0.39 30.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.072 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mt -74.38 120.66 20.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' GLU . 62.1 p -64.11 131.02 46.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.479 ' CG2' ' HE3' ' A' ' 35' ' ' LYS . 49.1 mm -37.64 -42.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.55 -53.21 60.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.2 mm-40 -61.39 -54.71 40.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.582 ' CD2' HD12 ' A' ' 71' ' ' LEU . 1.6 t80 -37.34 -58.21 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.479 ' HE3' ' CG2' ' A' ' 31' ' ' ILE . 71.9 mttt -50.17 -44.56 52.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.4 t -54.04 -37.7 64.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -70.21 -31.71 69.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.57 HD23 ' CE2' ' A' ' 25' ' ' TYR . 25.6 mt -74.96 -28.33 60.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 74.3 mt-10 -48.82 -26.88 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.49 -25.86 17.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' LEU . 32.9 t -72.79 -47.75 48.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 14' ' ' SER . 0.9 OUTLIER -92.92 -32.48 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 93.81 -6.95 73.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -95.36 162.92 23.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 136.54 20.61 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . . . -65.96 -11.44 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.69 -3.35 58.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' HIS . 83.1 m -137.61 29.06 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.438 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -145.28 131.18 19.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.6 168.17 10.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 38' ' ' LEU . 51.3 mt -124.35 155.86 38.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' A' ' 60' ' ' PHE . 3.2 mm-40 -140.09 140.85 36.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.3 tp -112.31 108.68 17.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 76.2 m-85 -103.82 143.3 33.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 59' ' ' LYS . . . -67.96 -123.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.118 . . . . 0.0 111.057 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.36 -70.69 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 58' ' ' ASP . 46.3 p-10 -74.79 58.03 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 57' ' ' ASP . 22.6 t70 39.98 65.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' CG ' ' HA3' ' A' ' 55' ' ' GLY . 12.3 ptmt -117.42 109.3 16.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.601 ' CE1' ' OE2' ' A' ' 52' ' ' GLU . 34.8 t80 -60.17 133.91 56.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.401 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 3.6 m-30 -114.42 -65.3 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.77 169.05 24.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -104.74 143.05 33.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.424 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -86.28 73.52 10.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -94.54 -51.67 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -41.32 104.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.99 -21.85 56.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.21 6.88 40.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.08 164.41 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.478 ' CD2' HG23 ' A' ' 30' ' ' THR . 4.0 mt -125.55 148.45 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.582 HD12 ' CD2' ' A' ' 34' ' ' PHE . 1.5 mt -64.3 101.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.69 -45.26 0.6 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.32 -21.64 50.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 110.03 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -90.64 166.45 19.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.56 3.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.496 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 4.9 p -115.65 167.91 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -170.97 159.77 6.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.72 102.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 135.17 -13.13 4.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.442 1.089 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.496 ' SG ' ' CG2' ' A' ' 76' ' ' VAL . 9.3 p -58.78 -164.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -146.77 111.02 5.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.443 ' HB ' ' CD1' ' A' ' 12' ' ' ILE . 4.2 mm -96.73 113.43 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -98.65 124.35 43.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.628 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.438 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 32.5 t -92.19 116.34 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.0 mt -89.73 102.9 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.59 102.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.597 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.58 150.74 2.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 110.045 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.01 122.57 11.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.2 109.87 2.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -165.11 86.33 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 0.736 . . . . 0.0 109.958 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.39 151.5 0.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.08 -150.97 7.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.453 ' CG2' ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -137.27 133.67 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.7 mtt -81.99 118.28 22.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.0 m -127.79 150.14 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -92.32 103.1 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mm -84.26 138.99 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 t -134.18 179.35 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.458 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 44.4 p -173.51 134.08 0.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -50.99 -23.88 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.964 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -49.2 41.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.33 143.54 33.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -59.27 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.976 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -101.6 173.08 6.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.52 157.99 23.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.6 m -105.6 171.29 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -122.84 99.59 6.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -125.29 177.4 6.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -138.72 147.2 42.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -153.32 142.61 21.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.4 t -68.34 147.92 51.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.453 ' HG2' ' CG2' ' A' ' 8' ' ' VAL . 6.9 mtt180 -72.44 -3.89 26.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.26 -5.75 39.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mt -72.53 106.66 4.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 33' ' ' GLU . 3.1 p -56.11 136.8 52.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' THR . 36.7 mm -37.33 -48.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.9 -52.45 64.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.7 mm-40 -62.45 -48.8 78.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.575 ' CD2' HD13 ' A' ' 71' ' ' LEU . 1.3 t80 -43.81 -46.51 7.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -61.34 -47.2 86.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -29.7 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' A' ' 35' ' ' LYS . 4.2 mmtt -77.86 -56.54 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.445 ' CD1' HD21 ' A' ' 51' ' ' LEU . 9.2 mt -48.04 -27.02 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 24.3 mt-10 -51.11 -30.6 16.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.9 mt -93.27 -22.36 19.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.6 t -74.68 -58.4 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 14' ' ' SER . 2.2 m -85.05 -16.12 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 72.56 5.9 64.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.426 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -103.78 173.83 3.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 110.007 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.99 132.51 15.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . . . -72.69 -18.99 61.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.1 6.1 17.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.7 m -127.51 -59.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 108.27 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.493 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.2 ptp -52.73 152.26 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -117.48 157.17 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.353 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.445 HD21 ' CD1' ' A' ' 38' ' ' LEU . 14.8 mt -112.97 154.15 26.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -144.94 139.5 27.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.455 HD12 ' CG2' ' A' ' 76' ' ' VAL . 7.6 tp -107.45 98.85 8.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -94.72 141.54 28.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.35 -142.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.24 -73.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 0.794 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' ASP . 11.8 t0 -74.64 58.08 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' ASP . 19.1 m-20 39.62 75.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.98 96.25 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -48.17 137.33 10.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -114.58 -74.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.81 174.43 10.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -109.32 143.11 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.458 HD13 ' CE2' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -90.65 63.3 5.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -81.83 -42.8 19.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.458 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.9 OUTLIER -53.04 114.0 1.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -90.28 -26.44 20.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.45 11.32 14.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -99.3 158.25 15.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.3 mt -106.18 134.06 49.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.575 HD13 ' CD2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -56.05 101.14 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.59 -44.93 0.58 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 p -51.13 -22.08 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.029 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.458 ' CE2' HD13 ' A' ' 64' ' ' LEU . 25.2 m-85 -84.88 167.69 25.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.68 4.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.545 1.813 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.455 ' CG2' HD12 ' A' ' 53' ' ' LEU . 5.0 p -117.52 172.16 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -173.58 161.16 3.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.361 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.59 96.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.33 -16.22 2.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.434 ' CB ' HG21 ' A' ' 76' ' ' VAL . 1.3 m -64.32 -172.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.49 130.43 42.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 11.0 mm -111.33 101.52 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -88.39 110.63 20.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.587 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.493 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 46.4 t -84.99 117.7 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.8 mt -87.49 102.69 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.03 101.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -87.11 -24.57 24.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.628 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 t -57.55 -57.88 10.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.43 -76.84 0.26 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.75 158.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 165.52 -85.58 0.1 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -52.59 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 t -74.96 155.98 36.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.65 -60.04 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -81.87 99.39 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.76 . . . . 0.0 109.951 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -153.55 118.5 5.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.37 91.82 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.46 -45.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -160.62 146.76 15.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.964 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.38 148.29 18.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.03 126.14 65.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.453 0.737 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.0 OUTLIER -75.9 105.79 7.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.84 149.71 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -92.52 103.16 15.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.7 mm -84.55 133.71 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 t -131.37 171.15 13.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 110.019 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.2 p -158.08 146.88 19.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -4.51 38.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mt -76.59 -50.09 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -111.86 135.48 52.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.3 m -79.41 68.61 5.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.03 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -179.74 159.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -103.79 151.06 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -108.59 167.06 10.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -122.89 99.61 6.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -125.46 177.16 6.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 3.0 ttt180 -136.49 144.24 44.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.407 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 75.7 m-85 -149.3 142.31 24.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 28' ' ' SER . 5.8 t -72.24 125.92 28.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.027 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 71' ' ' LEU . 1.2 mtt85 -46.51 -23.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -65.56 -37.43 86.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.054 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 26' ' ' SER . 9.2 mt -42.6 111.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 31' ' ' ILE . 80.4 p -64.44 137.39 57.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 30' ' ' THR . 38.2 mm -34.41 -41.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.3 -58.88 5.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.3 mm-40 -56.88 -42.22 79.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.576 ' CD2' HD12 ' A' ' 71' ' ' LEU . 1.3 t80 -49.16 -47.78 45.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 2.1 mttm -62.4 -47.93 81.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -48.34 -30.16 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 108.325 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -76.43 -48.76 18.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.48 ' CD1' HD23 ' A' ' 51' ' ' LEU . 30.2 mt -59.25 -33.36 70.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.529 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 25.2 mt-10 -39.43 -35.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.8 mt -87.29 -50.02 6.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.4 t -41.09 -37.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -111.0 -19.17 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 73.58 21.47 79.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.434 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -116.65 174.46 2.46 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.754 . . . . 0.0 110.015 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.94 135.4 19.15 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.549 1.815 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . . . -77.58 -20.14 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.24 0.51 24.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.8 m -118.11 -66.08 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.26 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 8.3 ptp -44.35 154.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -116.45 161.87 18.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.48 HD23 ' CD1' ' A' ' 38' ' ' LEU . 21.9 mt -114.44 143.3 45.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -141.87 131.55 24.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.434 HD13 ' CG2' ' A' ' 76' ' ' VAL . 12.1 tp -104.76 107.14 17.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -91.87 147.4 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . -74.49 -144.13 0.91 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.422 1.076 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.7 -66.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 58' ' ' ASP . 9.0 t0 -77.44 55.28 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' ASP . 29.0 m-20 37.96 78.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.5 tttm -138.23 107.43 6.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -53.06 139.83 27.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -112.32 -80.19 0.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.45 178.1 6.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.53 132.31 53.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -88.49 66.85 8.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.36 -48.25 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.466 ' CG ' ' HB1' ' A' ' 69' ' ' ALA . 4.3 tp60 -40.69 107.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.61 -42.22 61.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -12.18 31.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.466 ' HB1' ' CG ' ' A' ' 66' ' ' GLN . . . -81.68 153.39 26.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.402 ' CD2' HG21 ' A' ' 30' ' ' THR . 24.7 mt -113.06 134.76 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.576 HD12 ' CD2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -54.09 101.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.0 -50.23 0.51 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.45 -23.51 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -82.57 166.89 33.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.82 3.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.434 ' CG2' HD13 ' A' ' 53' ' ' LEU . 9.7 p -124.13 166.72 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -171.84 165.99 6.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -57.43 103.48 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 137.38 -18.68 3.45 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.408 ' CB ' HG21 ' A' ' 76' ' ' VAL . 5.6 m -68.43 -173.36 0.42 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.89 129.21 36.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.272 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 11.8 mm -108.79 100.47 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -82.92 105.41 13.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.623 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 38.8 t -85.52 103.03 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.3 mt -74.07 103.76 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -59.43 105.43 0.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.363 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -99.06 15.68 25.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.634 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.0 88.31 2.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -143.88 91.52 0.16 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -60.51 151.16 29.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -116.8 177.9 16.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 67.0 6.03 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.47 157.96 20.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.42 106.22 5.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t 63.93 99.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -109.13 103.33 12.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.16 -124.56 0.76 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.102 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -41.52 150.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.8 p -123.53 78.37 1.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.55 -148.78 25.29 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.456 HG21 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -142.01 132.92 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.781 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -94.5 115.72 27.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.7 m -120.34 151.4 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -94.4 103.05 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mm -84.27 141.92 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -150.21 165.1 33.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.39 157.51 42.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -23.3 63.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.51 -47.41 86.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -117.05 119.01 33.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.08 78.34 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -177.57 169.52 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -110.91 134.04 52.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 m -98.96 166.6 11.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.061 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -122.55 98.79 6.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -123.51 175.61 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 6.3 ttt180 -135.53 143.41 45.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.4 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 37.8 m-85 -147.81 157.01 43.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.9 t -83.23 147.65 27.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.456 ' CG ' HG21 ' A' ' 8' ' ' VAL . 6.5 mtp180 -74.09 -1.88 22.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.4 m -101.35 -3.22 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.2 mt -73.29 107.69 5.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 33' ' ' GLU . 40.8 p -53.93 133.45 43.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 64' ' ' LEU . 43.2 mm -37.98 -42.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.16 -52.65 63.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.0 mm-40 -59.5 -52.3 66.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CD2' HD13 ' A' ' 71' ' ' LEU . 1.3 t80 -42.31 -45.29 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 1.5 mttm -58.15 -40.5 81.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -56.42 -35.09 67.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.276 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -35.78 71.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.5 mt -71.29 -35.48 71.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.485 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 32.3 mt-10 -40.86 -30.08 0.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.9 mt -92.82 -42.97 9.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -51.84 -35.8 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.466 HG22 ' CE ' ' A' ' 49' ' ' MET . 0.2 OUTLIER -107.77 -31.01 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.485 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 89.13 1.86 78.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.421 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -100.94 173.77 3.42 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.03 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.03 137.4 21.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . -75.01 -19.91 59.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.33 0.75 27.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.0 m -120.72 -65.3 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.478 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.1 ptp -46.53 150.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -112.12 160.53 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.41 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 39.1 mt -115.11 144.39 43.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.83 145.13 39.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.7 tp -114.28 102.79 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.527 ' CE2' ' NH2' ' A' ' 81' ' ' ARG . 9.0 m-85 -93.8 146.92 23.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.78 -132.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.18 -72.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 3.9 t70 -52.98 -52.68 57.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 2.3 p30 154.05 60.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -116.42 110.13 18.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -61.43 140.63 58.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -114.75 -76.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.16 172.49 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.956 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.07 135.89 44.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.499 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -86.34 68.77 10.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.3 -46.34 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.487 ' CG ' ' HB1' ' A' ' 69' ' ' ALA . 22.6 tp60 -41.42 103.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -71.0 -42.46 69.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -13.97 31.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.487 ' HB1' ' CG ' ' A' ' 66' ' ' GLN . . . -83.61 158.13 22.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 mt -119.38 148.31 43.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.568 HD13 ' CD2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -64.32 103.07 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.247 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 147.56 -40.37 0.98 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -19.57 65.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.435 ' CD2' HD11 ' A' ' 64' ' ' LEU . 11.8 m-85 -86.16 169.03 16.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.052 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 55.39 3.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.36 167.81 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -174.52 165.21 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.25 100.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.78 -21.44 2.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.4 m -68.67 -173.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.527 ' NH2' ' CE2' ' A' ' 54' ' ' TYR . 33.2 ttp180 -136.17 142.24 44.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.464 ' CD1' HD23 ' A' ' 64' ' ' LEU . 3.6 mm -115.01 99.89 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 70.7 t60 -84.94 97.57 9.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.563 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.478 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 96.4 t -77.32 109.36 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.0 mt -76.01 102.62 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 2.6 p-10 -57.53 116.28 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -107.11 0.44 23.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.628 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.8 p -84.89 -50.92 7.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -41.92 -82.15 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.33 158.27 37.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.993 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 167.13 118.11 0.42 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.81 19.61 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.03 80.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 t -117.88 113.06 21.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.1 p -170.09 116.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.978 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.82 116.49 28.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.33 99.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.39 132.59 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.026 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.65 140.42 9.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.79 -166.22 12.23 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.44 ' CG2' ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -138.03 128.11 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.5 mtt -84.33 110.94 18.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.79 148.35 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -91.88 102.5 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.408 ' CD1' ' HB ' ' A' ' 82' ' ' ILE . 11.0 mm -84.15 146.49 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 p -152.86 -176.45 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -171.28 165.65 7.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 t -78.11 -23.05 48.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.98 -61.98 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -108.11 119.61 39.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.36 71.45 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -169.82 157.63 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -100.03 146.66 26.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -112.01 167.69 10.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.987 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -122.97 98.54 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -120.6 173.66 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 10.3 ttt180 -138.14 143.64 40.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.415 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 14.1 m-85 -149.51 161.55 41.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 111.051 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -86.05 145.58 27.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.44 ' HG2' ' CG2' ' A' ' 8' ' ' VAL . 6.7 mtt180 -70.14 -7.15 39.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.47 -19.66 19.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.975 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 mt -57.8 121.32 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 33' ' ' GLU . 1.4 p -68.57 136.05 52.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.454 ' CG2' ' HE3' ' A' ' 35' ' ' LYS . 28.0 mm -37.51 -49.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.31 -51.99 49.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 30' ' ' THR . 5.1 mm-40 -65.53 -53.5 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.51 ' CD2' HD13 ' A' ' 71' ' ' LEU . 3.4 t80 -41.43 -46.27 3.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' HE3' ' CD1' ' A' ' 51' ' ' LEU . 24.9 mttt -62.94 -41.11 99.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -50.42 -32.79 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 108.316 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 8.9 mptt -75.1 -37.62 61.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.481 ' CD1' HD22 ' A' ' 51' ' ' LEU . 19.6 mt -70.88 -29.22 65.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.452 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 47.9 mt-10 -44.75 -31.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.32 -30.49 15.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.113 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' LEU . 84.0 t -61.71 -40.52 87.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -105.04 -26.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 86.75 7.46 78.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.28 168.6 8.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.23 20.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.74 -21.86 62.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.1 2.4 20.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 66.7 m -122.21 -65.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.272 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.488 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.3 ptp -44.89 159.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -123.24 160.38 26.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.481 HD22 ' CD1' ' A' ' 38' ' ' LEU . 40.7 mt -109.42 161.11 15.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 51' ' ' LEU . 56.0 mt-10 -157.19 128.42 6.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.6 tp -100.88 109.25 21.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -93.18 146.59 23.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 111.04 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.71 -140.28 0.66 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.04 -73.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 58' ' ' ASP . 24.6 t0 -75.14 57.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER 39.49 74.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.91 98.96 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.555 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 0.8 OUTLIER -50.74 137.86 19.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -115.73 -80.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.46 164.54 19.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.469 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -104.81 132.28 51.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.566 HD11 ' CD2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -80.87 72.32 7.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -93.17 -39.84 10.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 20.0 tp60 -49.64 116.53 1.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -81.3 -36.19 30.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -3.47 35.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -78.02 173.68 11.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.448 HD21 ' CG2' ' A' ' 30' ' ' THR . 1.6 mt -141.19 141.05 34.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.51 HD13 ' CD2' ' A' ' 34' ' ' PHE . 1.8 mt -57.2 102.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.54 -46.64 0.62 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.97 -18.87 15.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 0.74 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.566 ' CD2' HD11 ' A' ' 64' ' ' LEU . 47.9 m-85 -95.53 166.24 15.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 54.7 3.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.467 1.772 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 77' ' ' ASP . 12.3 p -118.5 156.87 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.414 ' N ' HG22 ' A' ' 76' ' ' VAL . 27.2 t0 -159.83 164.56 33.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.99 92.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 149.85 -28.3 1.15 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.74 -170.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 ttm105 -134.2 140.91 46.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.408 ' HB ' ' CD1' ' A' ' 12' ' ' ILE . 3.8 mm -118.61 100.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -82.92 120.97 26.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.65 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.488 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 23.3 t -97.99 116.49 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 23.0 mt -87.79 103.34 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.85 98.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -96.02 16.91 16.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 109.648 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.28 80.01 1.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.26 96.26 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.551 1.157 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.3 t -168.88 -55.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.043 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.48 94.56 2.28 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.23 12.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.458 1.768 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -136.46 143.69 43.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.89 160.39 14.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.08 120.46 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 m -70.27 -54.83 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.03 -78.24 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.04 -60.03 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 0.758 . . . . 0.0 110.042 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -152.19 128.97 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.45 160.18 28.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.112 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.419 HG23 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -132.66 129.01 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 109.34 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.48 107.67 20.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.7 m -111.08 151.37 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -93.78 102.38 14.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.413 ' CD1' ' HB ' ' A' ' 82' ' ' ILE . 5.7 mm -84.2 128.37 38.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.14 164.53 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.424 ' CB ' HG11 ' A' ' 42' ' ' VAL . 82.8 p -155.01 148.16 24.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.409 ' CB ' ' OD1' ' A' ' 86' ' ' ASP . 0.2 OUTLIER -63.03 -17.41 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.043 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 86' ' ' ASP . 2.1 mt -70.82 -45.49 64.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -108.41 118.84 37.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.65 70.24 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 178.99 -177.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -119.55 133.0 55.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.9 m -93.28 163.12 13.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -122.92 98.98 6.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -126.45 178.72 5.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -134.94 146.3 49.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -151.6 141.29 21.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 24.3 t -72.26 128.66 36.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.419 ' CG ' HG23 ' A' ' 8' ' ' VAL . 11.4 mtm180 -50.93 -20.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.8 p -69.86 -36.82 75.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.167 . . . . 0.0 110.028 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 26' ' ' SER . 10.1 mt -43.58 118.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.485 ' O ' ' C ' ' A' ' 31' ' ' ILE . 1.3 p -73.26 137.71 45.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.485 ' C ' ' O ' ' A' ' 30' ' ' THR . 15.2 mm -32.84 -48.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.1 -61.45 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.7 mm-40 -56.08 -52.82 62.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.508 ' CE2' HD13 ' A' ' 71' ' ' LEU . 1.3 t80 -39.3 -44.25 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -62.61 -48.8 77.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.5 OUTLIER -46.6 -33.04 3.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -72.39 -47.28 50.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 34' ' ' PHE . 7.0 mt -58.57 -34.53 71.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.42 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 44.4 mt-10 -46.19 -30.36 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.82 -27.82 16.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' LEU . 43.4 t -70.18 -44.1 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.463 HG21 ' CE ' ' A' ' 49' ' ' MET . 0.3 OUTLIER -96.98 -32.57 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 91.82 1.85 70.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.426 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.2 OUTLIER -102.13 173.96 3.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.026 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.05 138.69 23.25 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . . . -75.29 -19.31 59.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.4 5.23 18.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 77.6 m -126.23 -63.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.478 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.4 ptp -45.58 148.9 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -110.64 153.62 24.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.446 ' CD2' HD13 ' A' ' 38' ' ' LEU . 16.5 mt -110.59 144.84 38.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 3.4 mt-10 -140.57 137.92 34.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 12.9 tp -112.26 107.75 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 55' ' ' GLY . 55.8 m-85 -102.07 148.54 25.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 54' ' ' TYR . . . -58.2 -118.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -107.5 -69.91 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -61.7 -47.57 84.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER 159.32 46.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -95.97 96.86 9.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -60.03 130.96 49.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.402 ' CE2' ' HA2' ' A' ' 55' ' ' GLY . 9.5 m-85 -106.35 -79.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -138.3 169.77 17.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -103.7 132.14 50.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.5 81.05 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -105.66 -53.51 2.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 28.7 tp60 -42.95 115.02 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.38 -41.14 48.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.47 -14.32 62.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -75.65 143.61 42.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.469 ' CD2' HG22 ' A' ' 30' ' ' THR . 63.4 mt -104.23 132.72 50.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.508 HD13 ' CE2' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -52.71 101.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.28 -54.57 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.84 -27.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.402 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 30.9 m-85 -79.16 168.44 26.84 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.461 ' HD2' ' CD2' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 55.56 3.98 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.456 1.766 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.8 p -104.99 168.58 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -169.02 153.82 5.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.02 98.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.63 -7.04 4.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.9 p -57.5 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -146.63 111.35 5.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.413 ' HB ' ' CD1' ' A' ' 12' ' ' ILE . 5.4 mm -95.62 100.45 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -87.05 109.62 19.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.566 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.478 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 25.5 t -89.87 107.26 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.7 mt -79.55 102.79 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.47 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -54.21 98.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.75 16.21 11.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 t -112.18 -41.19 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -57.88 -90.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.2 m -116.55 111.0 19.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.774 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.47 -178.6 41.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 178.97 6.56 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.87 138.83 50.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.1 99.46 3.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -158.36 168.02 28.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.725 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -120.63 126.98 51.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.56 78.78 0.37 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.152 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -136.7 162.94 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 m -60.29 -56.7 18.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.66 163.12 11.85 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.463 ' CG2' ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -129.5 129.21 66.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.561 0.8 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 mtp -85.15 117.25 23.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 m -124.95 150.59 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -92.05 103.28 15.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 mm -84.4 135.34 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.11 -178.01 4.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.442 ' OG ' ' ND2' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -170.79 161.61 7.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.024 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.68 -15.5 51.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.2 -63.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.442 ' ND2' ' OG ' ' A' ' 14' ' ' SER . 2.6 p30 -74.09 -36.52 64.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.97 32.7 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -143.78 172.96 12.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -102.69 129.17 49.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.6 m -104.26 171.74 7.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -122.44 98.67 6.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 4.5 mmtt -122.84 174.7 6.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.526 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 14.4 ttt-85 -138.11 146.75 43.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.526 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 28.4 m-85 -152.17 149.99 29.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.2 t -77.21 149.17 35.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.963 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.463 ' HG2' ' CG2' ' A' ' 8' ' ' VAL . 8.3 mtt180 -73.7 -1.81 20.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.358 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.93 -0.3 29.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.3 mt -76.28 112.5 12.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' GLU . 33.5 p -57.8 133.31 55.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.457 ' CG2' ' HE3' ' A' ' 35' ' ' LYS . 42.6 mm -38.36 -42.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.8 -51.75 68.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.4 mm-40 -62.68 -47.71 82.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -45.46 -47.06 13.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 22.4 mttt -60.11 -43.57 95.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.85 -36.55 7.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.351 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 13.3 mptt -72.99 -38.84 66.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' LYS . 20.0 mt -66.34 -28.42 68.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.429 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 42.0 mt-10 -50.17 -30.85 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.2 mt -92.59 -23.54 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.64 -42.78 80.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.417 ' CG2' ' HE2' ' A' ' 49' ' ' MET . 0.7 OUTLIER -105.55 -10.74 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.429 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 69.07 12.8 65.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.563 1.164 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -109.23 172.54 3.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.753 . . . . 0.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.86 20.86 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.485 1.782 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . . . -77.21 -19.77 56.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.75 3.01 20.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.9 m -123.61 -64.98 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.457 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.9 ptp -45.17 160.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -120.05 167.04 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.454 HD12 ' CE ' ' A' ' 35' ' ' LYS . 12.2 mt -119.77 162.7 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.449 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 40.5 mt-10 -155.0 135.29 13.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 24.9 tp -109.5 103.26 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.519 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 62.5 m-85 -99.8 143.12 30.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.99 -130.36 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.27 -71.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ASP . 5.3 t70 -74.01 57.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.519 ' OD1' ' CD2' ' A' ' 54' ' ' TYR . 26.8 t0 38.41 58.54 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.92 111.99 23.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -61.57 133.54 55.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -110.27 -67.5 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.08 169.96 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.038 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.53 130.06 50.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.43 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -82.03 69.27 8.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -95.49 -42.96 8.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.472 ' CG ' ' HB1' ' A' ' 69' ' ' ALA . 2.7 tp-100 -47.14 109.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.88 -31.89 57.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.36 0.4 25.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.472 ' HB1' ' CG ' ' A' ' 66' ' ' GLN . . . -87.23 174.07 8.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.433 ' CD2' HG21 ' A' ' 30' ' ' THR . 1.2 mt -140.29 147.91 40.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 27' ' ' ARG . 1.2 mt -59.75 117.95 5.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 132.03 -56.29 0.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.02 -25.92 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 110.023 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.417 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 30.1 m-85 -86.75 168.8 16.84 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.98 55.51 3.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 p -103.17 176.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -175.49 141.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -49.96 96.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.3 -14.87 2.99 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -137.58 124.51 21.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.9 mm -106.5 100.06 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -88.91 124.19 33.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.562 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.457 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 64.7 t -98.35 126.6 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.6 mt -95.76 102.69 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -57.64 103.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -98.37 9.82 42.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.566 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 m -132.23 73.64 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -86.45 94.62 1.97 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.33 135.65 17.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.92 174.49 40.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 81.45 2.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 m -121.58 86.07 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.8 t -42.25 138.17 1.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.449 1.093 . . . . 0.0 111.055 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.24 -57.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.756 . . . . 0.0 110.009 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m 55.86 84.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.28 -89.93 0.31 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -163.55 139.34 6.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -47.67 133.46 13.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.956 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.04 177.62 36.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -129.04 128.24 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.48 110.41 12.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 m -122.55 146.46 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -92.15 104.04 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.449 HG21 ' CD2' ' A' ' 38' ' ' LEU . 14.4 mm -84.33 134.98 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 p -135.43 154.18 51.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.942 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.439 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 27.8 p -145.34 142.74 29.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -8.46 53.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.5 ' CD1' ' OD1' ' A' ' 86' ' ' ASP . 3.9 mt -78.43 -46.84 18.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.2 -26.84 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t 60.29 50.72 5.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -163.19 163.73 25.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.161 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -94.89 124.11 38.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -98.74 168.49 10.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -122.5 99.28 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -126.06 175.37 7.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 2.6 ttt-85 -138.6 147.46 42.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 52.4 m-85 -152.81 154.53 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.9 t -78.23 148.04 34.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.459 ' HG2' ' CG2' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -74.25 -1.86 22.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.81 -0.49 34.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.9 mt -75.5 111.91 11.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' GLU . 74.3 p -56.91 133.85 54.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 66' ' ' GLN . 47.5 mm -37.39 -43.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.06 -53.81 52.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.3 mm-40 -61.1 -45.74 93.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.495 ' CE2' HD12 ' A' ' 71' ' ' LEU . 1.8 t80 -46.95 -47.08 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 38' ' ' LEU . 4.3 mttm -62.92 -45.88 90.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -44.43 -33.44 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 108.318 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -74.94 -45.4 42.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' CD2' HG21 ' A' ' 12' ' ' ILE . 22.5 mt -61.05 -32.24 71.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.533 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 64.5 mt-10 -44.8 -34.74 2.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.227 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.493 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -86.29 -41.62 14.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.9 t -49.49 -42.29 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.439 ' CG1' ' HB3' ' A' ' 14' ' ' SER . 0.4 OUTLIER -103.2 -29.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 87.57 20.88 49.99 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.415 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -119.66 173.6 3.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.0 139.16 23.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . -79.05 -20.56 48.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.51 4.42 18.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 90.8 m -121.63 -57.88 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.317 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.432 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 5.5 ptp -57.85 148.63 24.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -108.17 157.64 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 38' ' ' LEU . 13.9 mt -114.94 163.37 15.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.489 ' OE2' ' CE1' ' A' ' 60' ' ' PHE . 21.3 mt-10 -158.56 140.79 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.1 tp -105.88 131.82 52.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -121.74 151.04 40.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.72 -125.35 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.5 -70.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 58' ' ' ASP . 19.5 t0 -73.47 58.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' ASP . 77.9 m-20 39.4 68.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -120.78 110.47 16.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.489 ' CE1' ' OE2' ' A' ' 52' ' ' GLU . 59.6 t80 -56.04 137.19 51.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -115.28 -74.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.59 169.32 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.472 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -105.82 125.05 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.437 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -72.93 63.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -79.89 -46.14 17.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.431 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 33.5 tp60 -45.97 145.1 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -111.88 -30.45 7.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.3 1.73 43.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.424 ' HB2' ' CG ' ' A' ' 66' ' ' GLN . . . -82.81 177.38 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.2 mt -139.95 152.26 46.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.495 HD12 ' CE2' ' A' ' 34' ' ' PHE . 1.1 mt -66.15 111.82 3.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.404 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 140.88 -56.28 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.43 -26.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.463 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 71.7 m-85 -86.74 167.92 20.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.0 56.98 4.42 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 p -103.48 179.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -175.02 162.14 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.95 90.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.77 -15.46 2.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.19 -170.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -136.7 138.15 40.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 6.4 mm -118.27 99.85 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -82.43 131.84 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.589 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.432 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 69.6 t -109.95 119.33 58.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.5 mt -87.53 102.64 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.5 ' OD1' ' CD1' ' A' ' 16' ' ' LEU . 29.5 t70 -54.44 104.52 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -101.09 2.97 40.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.619 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.4 77.81 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -111.73 92.0 0.63 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 99.7 p -138.7 155.34 48.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.005 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -108.13 -84.63 1.66 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 95.93 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.68 143.86 47.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m 51.15 -176.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.956 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -104.64 89.61 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -77.58 142.55 38.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.57 -88.33 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.147 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -93.01 86.73 5.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.9 OUTLIER -138.83 -66.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.98 168.15 14.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.456 ' CG2' ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -130.43 123.76 56.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.796 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.5 mtm -75.08 109.45 8.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.53 147.23 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -92.45 103.05 15.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.5 mm -84.25 151.63 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.1 p -155.56 166.3 33.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.431 ' CB ' HG11 ' A' ' 42' ' ' VAL . 21.3 p -154.78 154.48 32.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.21 -26.62 66.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -57.76 11.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -96.94 120.7 37.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.16 60.93 2.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -166.57 176.72 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.47 143.79 43.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -110.69 165.81 11.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -123.07 98.77 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -121.78 174.88 6.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 4.6 ttt180 -135.92 143.65 45.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.41 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 57.8 m-85 -150.46 134.91 17.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 16.4 t -66.36 133.89 51.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.456 ' HG2' ' CG2' ' A' ' 8' ' ' VAL . 5.6 mtt180 -53.02 -18.94 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.6 m -71.54 -37.68 71.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 26' ' ' SER . 8.8 mt -43.28 111.53 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 31' ' ' ILE . 59.8 p -65.11 137.55 57.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' A' ' 30' ' ' THR . 40.8 mm -34.23 -43.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.58 -58.54 7.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' THR . 5.5 mm-40 -56.51 -43.32 79.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CD2' HD11 ' A' ' 71' ' ' LEU . 1.3 t80 -48.19 -48.36 34.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -59.96 -47.92 83.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 1.8 t -46.32 -35.35 5.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.331 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -72.84 -48.15 40.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.48 ' CD1' HD22 ' A' ' 51' ' ' LEU . 42.3 mt -58.95 -36.78 75.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.525 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 27.7 mt-10 -39.38 -39.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.586 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -81.24 -42.11 21.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' LEU . 97.2 t -50.08 -54.71 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.431 HG11 ' CB ' ' A' ' 14' ' ' SER . 1.3 m -90.42 -18.91 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 75.87 10.83 84.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.416 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -107.54 173.87 2.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.966 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.06 142.12 27.28 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.788 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . . . -82.77 -15.26 52.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.89 3.9 27.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.3 m -124.48 -62.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.312 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.472 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 5.9 ptp -49.99 152.34 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -113.94 166.09 11.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.48 HD22 ' CD1' ' A' ' 38' ' ' LEU . 36.8 mt -118.27 145.25 45.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -139.41 143.11 37.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.461 HD11 ' CG2' ' A' ' 76' ' ' VAL . 14.0 tp -114.44 103.22 10.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -93.78 149.55 21.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.425 ' HA3' ' CG ' ' A' ' 59' ' ' LYS . . . -79.97 -137.13 1.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.52 -73.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' ASP . 4.3 m-20 -73.77 57.36 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' ASP . 17.2 t70 37.67 72.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' CG ' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -123.81 105.33 9.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -58.78 135.63 57.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -109.27 -79.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.34 167.23 18.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.04 136.6 38.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.405 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -88.86 70.53 8.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -95.64 -50.3 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.483 ' CG ' ' HB3' ' A' ' 69' ' ' ALA . 27.7 tp60 -40.25 103.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.01 -41.17 64.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.93 -12.48 37.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.483 ' HB3' ' CG ' ' A' ' 66' ' ' GLN . . . -82.65 156.28 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.6 mt -113.01 143.47 44.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -61.69 101.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.15 -47.93 0.54 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.87 -27.12 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 0.791 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -80.88 166.86 36.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.98 4.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.461 ' CG2' HD11 ' A' ' 53' ' ' LEU . 9.9 p -125.44 166.8 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -174.36 170.44 3.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -60.03 101.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.88 -24.88 2.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.1 m -67.92 -172.83 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 81' ' ' ARG . 22.7 ttm105 -134.13 144.07 48.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 9.2 mm -120.47 104.29 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -88.69 107.57 19.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.629 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.472 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 95.7 t -85.49 119.34 33.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 57.2 mt -87.79 102.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.19 101.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -97.04 17.56 16.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.54 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.5 p -119.4 94.73 4.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -136.94 115.05 1.2 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.77 143.29 51.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 147.21 -144.36 12.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 142.23 27.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.432 1.754 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.2 t -140.25 114.45 9.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.19 112.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.23 91.22 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.023 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 p -140.63 157.47 45.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.98 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.65 121.85 0.59 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -111.62 116.19 30.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 m 55.92 168.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.948 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.51 169.34 36.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.72 122.7 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.0 mtt -75.98 115.24 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.2 m -115.32 149.55 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -92.33 104.54 16.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 mm -83.98 147.28 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.35 127.76 6.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.419 ' CB ' HG13 ' A' ' 42' ' ' VAL . 10.5 p -127.25 148.28 50.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -24.68 67.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.051 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mt -64.82 -49.83 69.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -93.43 132.63 37.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -87.41 52.18 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -170.87 178.47 3.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.51 149.47 23.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.76 127.16 54.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -98.84 97.99 9.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 28.0 mmtt -112.23 -179.46 3.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 3.9 ttt180 -138.6 140.86 39.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 12.2 m-85 -153.04 161.57 42.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 t -91.56 148.46 22.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 71' ' ' LEU . 8.2 mtm180 -71.63 -4.77 29.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.3 m -94.97 -13.71 25.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.0 mt -64.59 121.17 13.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 33' ' ' GLU . 30.2 p -66.97 135.64 54.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 30' ' ' THR . 46.8 mm -36.46 -39.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.69 -56.35 18.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' THR . 7.6 mm-40 -59.46 -48.63 80.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.442 ' CD2' HD13 ' A' ' 71' ' ' LEU . 2.3 t80 -42.25 -50.79 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 11.9 mttm -60.56 -46.94 88.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -44.1 -33.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -73.24 -46.74 48.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 51' ' ' LEU . 20.2 mt -59.02 -32.05 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 59.2 mt-10 -48.7 -28.15 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.41 -25.38 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' LEU . 24.3 t -73.38 -58.8 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.437 HG23 ' CE ' ' A' ' 49' ' ' MET . 2.0 m -81.06 -32.28 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 90.95 2.6 71.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.91 172.24 4.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.003 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.61 21.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . . . -73.39 -20.43 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.34 4.41 17.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 79.4 m -125.84 -62.35 1.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 108.33 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.485 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 5.6 ptp -50.06 143.37 8.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -110.96 154.56 23.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 38' ' ' LEU . 8.5 mt -116.23 155.47 28.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HG2' ' CE1' ' A' ' 60' ' ' PHE . 17.5 mt-10 -147.38 146.0 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.429 ' CD1' HG22 ' A' ' 76' ' ' VAL . 12.6 tp -106.5 102.43 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.438 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 52.3 m-85 -98.83 150.85 21.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . -59.67 -119.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.11 -69.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 1.4 m-20 -60.76 -48.07 83.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 1.5 m-20 156.66 70.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.2 mttt -124.75 101.11 6.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 18.9 t80 -58.6 141.84 51.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' LEU . 3.9 m-30 -115.5 -82.58 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.1 m -122.96 164.04 19.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HG2' ' CZ ' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -100.91 134.67 43.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -85.83 50.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -42.67 68.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.406 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -56.7 118.8 5.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 68' ' ' ASP . 3.3 pt-20 -86.59 -36.61 18.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.433 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 50.7 t0 -69.28 -8.25 44.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.406 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -76.27 173.9 10.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 30' ' ' THR . 5.0 mt -134.47 153.11 52.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.442 HD13 ' CD2' ' A' ' 34' ' ' PHE . 1.5 mt -68.38 101.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.85 -48.65 0.53 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.97 -23.94 14.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -89.45 166.16 22.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 54.34 3.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.516 1.798 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' CD1' ' A' ' 53' ' ' LEU . 1.0 OUTLIER -118.57 174.22 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 178.95 167.74 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.83 100.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.27 -17.24 3.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.428 ' CB ' HG22 ' A' ' 76' ' ' VAL . 6.8 m -65.81 -173.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -133.95 134.34 42.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 30.5 mm -115.82 102.54 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -82.66 112.14 19.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.597 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.485 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 38.6 t -87.79 94.88 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.6 mt -68.75 102.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.38 100.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -96.98 12.01 33.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.619 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.5 t -96.87 -62.35 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.972 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.04 -127.2 9.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.084 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.1 t -84.41 -61.33 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.004 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -169.72 162.16 35.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.63 10.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.95 167.99 11.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.975 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 t 72.95 -64.92 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -159.76 164.08 34.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.7 168.19 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.45 80.41 0.66 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.552 1.157 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.65 127.6 32.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.975 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -178.83 99.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.026 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.78 -150.34 13.14 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.44 127.06 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -73.27 101.52 3.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.6 m -117.21 143.6 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -92.54 104.56 16.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.445 ' CD1' ' HB ' ' A' ' 82' ' ' ILE . 8.2 mm -84.34 148.01 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 p -153.74 167.06 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.472 ' CB ' HG11 ' A' ' 42' ' ' VAL . 23.3 p -161.93 159.04 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 t -72.7 -17.96 61.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -71.96 -54.09 11.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -84.12 -29.25 26.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER 76.1 -60.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.6 169.44 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.05 146.77 24.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -113.96 167.89 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -122.87 100.1 6.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -128.4 173.3 10.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.519 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -133.6 152.89 51.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.331 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 26.1 m-85 -155.52 151.39 27.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' LEU . 22.9 t -82.29 122.89 28.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 71' ' ' LEU . 7.2 mtt180 -43.83 -25.99 0.23 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 26' ' ' SER . 15.6 m -64.36 -40.59 96.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' SER . 9.6 mt -40.02 121.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.473 HG22 ' CD2' ' A' ' 70' ' ' LEU . 66.6 p -73.5 138.78 45.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' THR . 31.5 mm -35.62 -44.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.51 -56.51 20.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.088 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -59.98 -48.04 83.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.559 ' CD2' HD12 ' A' ' 71' ' ' LEU . 1.4 t80 -43.06 -48.39 6.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.93 -48.5 80.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' LYS . 1.3 t -40.97 -35.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 108.307 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -73.61 -51.2 17.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.554 ' CD1' ' CD2' ' A' ' 51' ' ' LEU . 34.3 mt -51.14 -32.15 22.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.499 ' OE2' ' CB ' ' A' ' 46' ' ' ALA . 80.5 mt-10 -48.39 -27.58 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.52 -26.94 17.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' LEU . 55.5 t -70.12 -45.56 75.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.472 HG11 ' CB ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -95.01 -32.89 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 90.36 22.14 35.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -125.32 171.36 7.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.35 22.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.499 ' CB ' ' OE2' ' A' ' 39' ' ' GLU . . . -63.12 -19.13 64.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -5.56 58.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' HIS . 76.4 m -127.66 30.65 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.51 137.25 21.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -105.68 173.02 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.554 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 92.9 mt -124.43 165.84 17.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 21.7 mt-10 -158.38 137.53 11.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 76' ' ' VAL . 15.7 tp -111.02 103.46 11.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.455 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 64.1 m-85 -100.32 137.42 38.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.05 -140.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.8 -73.63 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 58' ' ' ASP . 6.6 t0 -74.48 58.0 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' OD1' ' CD2' ' A' ' 54' ' ' TYR . 21.9 t0 39.41 76.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -128.61 98.51 5.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -50.07 138.21 16.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -116.3 -72.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 m -135.19 173.7 11.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.97 127.97 54.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -84.36 68.76 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.66 -46.5 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.455 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 11.0 tp60 -43.81 108.97 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.87 -35.67 64.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.06 -11.85 60.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -80.6 150.77 29.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.473 ' CD2' HG22 ' A' ' 30' ' ' THR . 55.6 mt -109.48 132.63 53.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.559 HD12 ' CD2' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -53.22 101.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.86 -51.53 0.47 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 p -45.73 -28.18 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.018 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.452 ' CE2' HD12 ' A' ' 64' ' ' LEU . 49.0 m-85 -79.13 165.53 48.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 56.03 4.1 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.477 HG23 ' CB ' ' A' ' 80' ' ' CYS . 7.4 p -121.11 163.83 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.64 169.11 6.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -56.59 104.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 134.16 -20.28 4.02 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.477 ' CB ' HG23 ' A' ' 76' ' ' VAL . 1.3 m -64.74 -171.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -135.64 138.85 43.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.445 ' HB ' ' CD1' ' A' ' 12' ' ' ILE . 21.7 mm -119.61 99.75 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -86.38 120.14 27.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.609 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.8 t -95.43 108.18 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.1 mt -79.55 102.6 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -54.58 104.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.2 m-70 -102.04 28.51 5.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.615 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 p -117.67 71.78 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -74.57 -95.46 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.74 129.4 4.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 170.79 157.57 13.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.53 14.36 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.5 t -132.03 -58.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.3 m 63.55 154.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -169.63 131.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.64 -61.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.58 -64.29 0.64 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.57 139.72 19.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.748 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -158.29 100.11 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.88 165.4 24.35 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.455 ' CG2' ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -128.78 128.04 67.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.0 mtm -79.63 120.2 23.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.82 150.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -91.92 103.79 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.3 mm -83.88 135.45 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.84 170.51 13.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 p -167.72 129.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.039 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.93 -22.95 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.24 -58.69 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -72.11 154.57 41.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -55.85 4.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.044 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -96.56 -176.66 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -95.79 164.76 12.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -116.33 166.6 11.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -123.15 98.59 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -120.42 175.13 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -138.45 144.63 40.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -147.06 157.46 43.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -82.74 147.21 28.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.455 ' HG2' ' CG2' ' A' ' 8' ' ' VAL . 6.7 mtt180 -72.28 -3.67 25.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.92 -9.99 23.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 mt -67.65 111.13 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' GLU . 72.8 p -59.18 133.72 56.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' THR . 39.2 mm -36.2 -46.1 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.95 -54.65 42.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.2 mm-40 -59.03 -53.24 60.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -41.64 -47.92 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -58.56 -40.31 82.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -53.65 -33.95 56.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 108.288 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 8.5 mptt -74.54 -38.23 62.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.467 ' CD1' HD21 ' A' ' 51' ' ' LEU . 15.4 mt -68.77 -32.0 71.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.508 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 29.4 mt-10 -41.66 -35.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.1 mt -88.89 -44.61 10.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -46.07 -38.24 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -111.13 -15.39 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 70.05 20.66 76.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.962 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -115.73 173.95 2.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 0.0 109.986 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.06 130.87 13.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.797 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.478 ' CB ' ' CG ' ' A' ' 39' ' ' GLU . . . -75.77 -14.52 60.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.67 2.86 35.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 m -124.31 -63.11 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.473 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.4 ptp -46.6 149.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -109.87 162.74 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 38' ' ' LEU . 35.5 mt -116.85 146.91 42.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -138.95 130.65 27.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.8 tp -106.12 102.14 11.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -97.3 146.93 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.14 -131.88 0.09 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.76 -71.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ASP . 10.5 t0 -73.35 58.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER 38.06 61.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.03 110.58 19.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -58.84 133.51 56.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -112.26 -72.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.09 169.97 16.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -105.3 135.9 45.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.435 HD11 ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -90.81 64.4 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.36 -43.83 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.416 ' HG2' ' CB ' ' A' ' 69' ' ' ALA . 6.2 tp60 -46.97 113.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -36.47 53.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -8.31 53.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.416 ' CB ' ' HG2' ' A' ' 66' ' ' GLN . . . -80.19 172.05 14.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mt -141.04 149.03 41.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' A' ' 27' ' ' ARG . 1.4 mt -59.55 113.8 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.412 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 136.76 -56.25 0.69 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.8 -26.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.448 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 39.7 m-85 -88.4 168.5 16.05 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.03 55.4 3.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.9 p -103.15 176.42 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -178.57 144.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -51.05 97.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.72 -13.73 3.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.9 -169.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -137.07 133.05 34.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.228 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 11.6 mm -113.54 102.2 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -90.25 111.0 22.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.473 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 63.8 t -88.35 120.35 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 72.7 mt -91.88 102.77 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -58.98 106.63 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -98.96 6.83 46.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.607 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 82.8 p -112.94 76.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.47 82.42 0.3 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.74 146.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -48.94 166.58 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.94 19.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.1 t -135.71 170.29 16.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.0 p -143.12 -85.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.4 p -53.2 138.74 31.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -42.45 -60.77 1.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.74 -71.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -121.68 153.99 37.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 p -105.19 173.21 6.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.019 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.29 162.9 13.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.74 134.0 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.2 mtp -91.34 111.47 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m -118.73 147.78 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -92.11 102.53 15.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.1 mm -84.33 149.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.6 t -149.09 -176.34 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.463 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 57.2 p -173.24 160.07 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.77 -10.98 59.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.16 -56.31 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 18' ' ' SER . 1.5 m-80 -83.91 -31.24 25.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER 78.58 -60.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.998 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -60.59 157.01 15.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -85.95 148.26 25.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -114.85 172.11 7.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.036 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.46 98.97 6.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -123.09 172.81 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -138.86 145.06 39.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -153.24 143.74 22.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.8 t -66.98 146.95 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 5.5 mtt180 -73.79 -2.56 24.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.9 m -100.62 -1.33 35.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.26 112.67 11.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' GLU . 81.5 p -56.39 132.61 51.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.374 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' THR . 37.6 mm -36.89 -43.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.63 -54.11 49.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.6 mm-40 -60.83 -43.67 97.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CD2' HD13 ' A' ' 71' ' ' LEU . 1.8 t80 -49.39 -46.93 48.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' NZ ' HG22 ' A' ' 31' ' ' ILE . 20.8 mttt -63.63 -44.44 93.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.98 -27.58 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -80.36 -49.07 12.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' VAL . 14.3 mt -56.74 -27.57 59.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.47 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 28.4 mt-10 -42.27 -32.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -92.22 -35.3 13.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' LEU . 89.0 t -56.78 -36.36 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 14' ' ' SER . 0.2 OUTLIER -112.51 -12.88 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 68.64 16.17 69.52 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.949 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -109.48 162.04 21.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 130.94 13.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.47 ' HB3' ' CG ' ' A' ' 39' ' ' GLU . . . -63.62 -12.99 37.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.71 1.56 51.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' HIS . 82.2 m -145.24 37.62 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.453 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -147.25 134.25 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -106.7 156.07 19.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 14.9 mt -110.29 153.4 24.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -141.39 135.45 30.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.402 HD13 ' CG2' ' A' ' 76' ' ' VAL . 61.7 tp -106.79 136.36 46.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 83' ' ' HIS . 22.6 m-85 -125.19 153.9 42.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.511 ' HA3' ' CE1' ' A' ' 61' ' ' TYR . . . -73.15 -119.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.084 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.31 -69.49 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' ASP . 8.3 t70 -73.68 57.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASP . 25.9 t0 38.2 67.18 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -121.87 111.54 17.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -51.37 121.53 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.511 ' CE1' ' HA3' ' A' ' 55' ' ' GLY . 2.6 m-30 -99.37 -53.29 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.6 m -165.56 179.28 6.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.431 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -111.99 136.39 51.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -85.07 49.29 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -54.38 43.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.46 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -43.41 118.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 68' ' ' ASP . 3.4 pt-20 -87.09 -36.13 18.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 4.3 m-20 -69.12 -18.74 64.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -67.1 171.16 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.4 mt -133.35 157.54 45.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 34' ' ' PHE . 1.7 mt -71.19 101.36 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 151.4 -42.26 0.73 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.86 -20.32 66.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -90.36 167.14 17.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 54.48 3.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.402 ' CG2' HD13 ' A' ' 53' ' ' LEU . 9.8 p -119.1 167.43 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -171.58 158.35 5.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.43 96.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.38 -17.92 2.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.2 m -68.55 -170.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -132.41 145.06 50.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.8 mm -125.32 119.34 55.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 40.2 t60 -105.28 118.48 36.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.615 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.453 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 84.7 t -93.54 126.1 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 88.9 mt -95.92 102.76 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.59 101.09 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.0 OUTLIER -96.72 23.62 6.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.655 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 m -111.75 63.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -108.0 -110.57 3.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.7 t -129.65 126.63 38.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.45 149.43 15.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.2 37.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.9 m -113.22 134.52 54.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 77.5 p -89.51 165.29 14.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -172.92 98.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.993 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -39.39 -56.95 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.39 114.58 1.15 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m 45.65 73.06 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.961 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.99 164.35 20.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.037 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.8 153.27 19.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.432 HG23 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -135.61 130.58 50.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 0.745 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.6 mtt -83.17 119.06 24.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.6 m -126.7 148.22 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -92.1 103.39 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 mm -85.08 145.34 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 t -141.05 -178.02 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.7 p -173.84 132.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.413 ' CB ' ' OD1' ' A' ' 86' ' ' ASP . 0.3 OUTLIER -57.86 -24.4 57.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.57 -49.33 77.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -105.61 124.31 49.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.36 62.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 t80 179.53 160.07 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.12 155.28 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -115.03 169.43 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.939 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -122.92 98.83 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' NZ ' HG21 ' A' ' 41' ' ' VAL . 7.5 mmtt -125.66 179.39 5.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 3.4 ttp180 -138.56 146.49 41.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 53.8 m-85 -149.93 141.73 23.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -66.68 145.8 55.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.955 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 71' ' ' LEU . 2.7 mtm105 -73.19 -2.78 23.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.48 0.37 47.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 109.982 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 mt -77.2 113.19 14.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 33' ' ' GLU . 81.3 p -59.75 134.7 57.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.357 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.468 ' CG2' ' HE3' ' A' ' 35' ' ' LYS . 42.7 mm -38.07 -38.33 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.93 -53.99 37.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.4 mm-40 -62.73 -43.91 97.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -46.99 -47.28 21.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' HE3' ' CG2' ' A' ' 31' ' ' ILE . 35.8 mttt -62.93 -50.82 69.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.53 -32.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -73.49 -47.95 37.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' LYS . 8.7 mt -61.08 -34.79 75.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.498 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 62.9 mt-10 -38.37 -30.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' LEU . 11.6 mt -89.83 -47.84 7.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.425 HG21 ' NZ ' ' A' ' 23' ' ' LYS . 93.7 t -47.69 -31.97 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.47 -32.06 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 85.89 25.72 37.04 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.83 168.49 13.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.789 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.56 23.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.793 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.62 -9.97 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.61 -5.59 55.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' HIS . 59.1 m -128.19 27.78 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.298 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.07 142.17 26.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -113.26 162.76 15.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 ' CD2' HG22 ' A' ' 84' ' ' VAL . 46.5 mt -122.52 139.45 53.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.373 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -122.72 142.55 50.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.9 tp -113.52 107.97 16.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -101.91 152.58 20.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.9 -132.13 0.38 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.84 -71.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -74.42 57.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER 38.81 61.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -117.07 111.0 18.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -53.37 138.11 33.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -114.88 -69.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.8 m -146.1 176.28 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.992 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.9 140.75 48.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.564 HD13 ' CE2' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -88.21 56.58 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.83 -40.29 79.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.461 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -65.65 130.16 42.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 68' ' ' ASP . 4.2 pt-20 -92.92 -36.68 12.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.422 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 1.3 m-20 -67.57 -26.39 66.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.24 171.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.43 ' CD2' ' CG2' ' A' ' 30' ' ' THR . 3.7 mt -134.38 148.83 50.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' ARG . 1.1 mt -62.05 114.0 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 137.89 -56.03 0.67 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.88 -25.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 0.736 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.564 ' CE2' HD13 ' A' ' 64' ' ' LEU . 32.6 m-85 -86.85 169.05 15.82 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.05 55.9 4.12 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.1 p -105.94 177.49 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -179.46 157.54 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 5.9 p-10 -59.68 97.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.27 -13.45 3.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.445 1.091 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.83 -172.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 81' ' ' ARG . 15.2 ttm105 -136.83 131.16 32.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.2 mm -113.71 99.95 9.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -91.94 128.94 37.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.576 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.47 HG22 ' CD2' ' A' ' 51' ' ' LEU . 37.3 t -95.34 137.95 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.8 mt -106.43 103.03 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.413 ' OD1' ' CB ' ' A' ' 15' ' ' SER . 5.8 p-10 -55.26 101.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.2 m-70 -102.97 28.34 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.594 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.3 p -115.55 80.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.053 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -131.25 -79.49 0.19 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.94 138.23 32.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 110.048 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 92' ' ' PRO . . . -68.88 132.5 26.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.401 ' HD3' ' HA2' ' A' ' 91' ' ' GLY . 18.2 Cg_endo -74.97 163.93 34.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.3 p 178.52 93.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.8 t -167.14 -59.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.19 -59.19 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.5 144.07 13.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 109.966 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.44 88.45 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 m -107.52 105.11 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -120.54 -54.86 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.16 -176.0 1.72 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.13 132.04 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 109.302 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.3 mtt -85.94 118.48 25.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 m -125.64 149.39 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -92.06 103.32 15.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.8 mm -84.35 145.52 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.0 t -150.42 -179.31 7.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.41 ' CB ' HG12 ' A' ' 42' ' ' VAL . 98.3 p -170.76 155.32 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.93 -9.09 58.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mt -81.55 -56.59 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -67.14 178.4 1.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.09 -56.64 2.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -104.52 175.65 5.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -83.42 160.22 21.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -114.8 170.56 8.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.977 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -122.59 98.68 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 6.1 mmtt -123.11 175.16 6.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.537 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 1.4 ttt-85 -138.58 147.05 42.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 39.7 m-85 -152.38 147.58 26.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -73.52 146.23 45.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 71' ' ' LEU . 5.1 mtt180 -73.04 -2.69 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.77 2.61 44.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.6 mt -80.82 118.4 22.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' GLU . 29.1 p -64.36 133.39 52.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.47 ' CG2' ' HE3' ' A' ' 35' ' ' LYS . 24.3 mm -37.87 -38.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.36 -54.25 39.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.8 mm-40 -60.78 -53.52 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.08 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.56 ' CE2' HD13 ' A' ' 71' ' ' LEU . 1.3 t80 -38.7 -55.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HE3' ' CG2' ' A' ' 31' ' ' ILE . 46.2 mttt -52.79 -46.08 67.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -46.63 -35.55 6.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.323 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 8.0 mptt -77.5 -40.54 42.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 23.4 mt -65.65 -27.91 68.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.515 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 48.7 mt-10 -44.5 -36.3 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -82.32 -38.84 23.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.8 t -55.5 -44.62 76.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.41 HG12 ' CB ' ' A' ' 14' ' ' SER . 0.9 OUTLIER -102.09 -7.57 9.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 60.24 25.02 61.88 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.98 168.48 11.98 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 109.952 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 133.85 16.95 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.527 1.804 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . . . -64.5 -12.72 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.0 5.59 48.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.972 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' HIS . 35.4 m -139.74 30.11 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 108.274 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.445 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -150.66 134.34 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -102.29 171.43 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.467 HD13 ' CE ' ' A' ' 35' ' ' LYS . 82.0 mt -123.41 165.81 16.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -153.73 149.83 27.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.446 HD12 ' CB ' ' A' ' 76' ' ' VAL . 15.9 tp -116.32 101.93 9.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.56 ' CE2' ' NH2' ' A' ' 81' ' ' ARG . 8.2 m-85 -94.6 143.8 26.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' HA3' ' CG ' ' A' ' 59' ' ' LYS . . . -74.47 -132.71 0.26 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.36 -72.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -75.08 57.77 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER 39.67 65.89 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' CG ' ' HA3' ' A' ' 55' ' ' GLY . 1.6 ptmt -119.06 102.65 8.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 2.5 t80 -55.61 139.17 45.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 53' ' ' LEU . 2.4 m-30 -117.74 -54.93 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.52 177.72 9.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.431 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -118.94 128.82 54.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.56 HD12 ' CE2' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -85.61 74.52 10.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.84 -44.04 4.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.31 117.86 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.241 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.12 -40.62 52.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -17.42 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.04 168.68 18.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.8 mt -139.82 145.62 38.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.56 HD13 ' CE2' ' A' ' 34' ' ' PHE . 1.5 mt -55.18 117.86 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 131.03 -53.17 0.81 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.76 -27.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 0.78 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.56 ' CE2' HD12 ' A' ' 64' ' ' LEU . 40.3 m-85 -85.62 166.54 29.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 55.51 3.97 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.446 ' CB ' HD12 ' A' ' 53' ' ' LEU . 9.9 p -121.11 169.5 12.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -167.42 165.45 14.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.17 101.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 141.46 -21.78 2.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.14 -172.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.56 ' NH2' ' CE2' ' A' ' 54' ' ' TYR . 32.1 ttp180 -131.81 138.6 48.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.4 mm -112.03 99.87 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -82.84 116.98 22.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.569 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.445 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 77.2 t -93.21 125.63 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 72.9 mt -95.81 102.78 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.06 106.65 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' CYS . 18.1 m-70 -104.98 30.34 5.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.7 t -109.95 82.45 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.69 -155.91 7.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m 54.55 -92.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 109.962 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -173.09 122.27 0.91 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 94.24 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.34 122.7 21.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.959 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.36 122.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.94 138.4 45.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.024 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -178.96 166.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.979 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.12 100.24 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 p -178.48 111.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m 54.37 102.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.946 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.36 -162.97 11.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.453 HG22 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -134.06 130.6 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.1 mtp -93.8 110.37 22.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 m -114.3 150.79 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -92.26 102.84 15.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mm -84.09 140.42 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.5 p -150.16 165.63 32.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.472 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 22.5 p -155.07 150.82 27.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -58.03 -24.62 59.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.51 -55.42 27.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -100.68 116.56 32.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.87 70.68 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -177.18 -178.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 3.8 mpt_? -123.76 135.48 53.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -101.07 169.24 9.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -122.55 98.55 5.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -120.94 173.85 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -136.65 145.71 45.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.441 ' CE1' ' HB3' ' A' ' 37' ' ' LYS . 72.7 m-85 -154.52 151.26 28.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.8 t -71.71 144.56 49.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.453 ' CG ' HG22 ' A' ' 8' ' ' VAL . 13.8 mtm180 -72.89 -4.61 32.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.13 -7.32 45.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.95 120.69 16.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.474 HG22 ' CD2' ' A' ' 70' ' ' LEU . 14.0 p -70.75 136.43 48.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.477 ' CG2' ' HE3' ' A' ' 35' ' ' LYS . 12.7 mm -36.0 -46.76 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.5 -54.55 39.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.5 mm-40 -62.3 -52.31 64.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -42.7 -51.22 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' HE3' ' CG2' ' A' ' 31' ' ' ILE . 25.7 mttt -54.01 -36.54 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -59.31 -34.83 72.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 108.316 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.441 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 2.9 mptt -71.86 -33.7 68.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 51' ' ' LEU . 19.1 mt -70.95 -28.36 64.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 44' ' ' SER . 37.4 mt-10 -50.6 -27.93 7.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.07 -30.21 15.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.0 t -66.16 -51.6 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 14' ' ' SER . 1.6 m -92.0 -17.05 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.34 3.64 66.52 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -101.85 172.09 4.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.2 22.64 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.545 1.813 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.467 ' HA ' ' CE ' ' A' ' 49' ' ' MET . . . -75.39 -1.23 22.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.09 4.6 44.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 87' ' ' HIS . 69.4 m -141.48 26.43 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -142.78 128.18 18.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.14 159.91 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 38' ' ' LEU . 17.2 mt -111.39 166.08 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -153.3 150.0 28.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 62' ' ' SER . 46.2 tp -123.89 126.92 47.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -116.41 154.47 30.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.474 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . -62.7 -131.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.7 -71.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 12.5 t70 -49.01 -54.61 14.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER 154.82 45.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -106.97 114.36 28.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -50.36 137.44 18.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.474 ' CE2' ' HA2' ' A' ' 55' ' ' GLY . 4.3 m-30 -114.16 -72.49 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 53' ' ' LEU . 3.7 m -143.28 172.87 12.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -110.41 135.85 50.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -88.73 74.08 8.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.5 -41.55 6.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -50.08 110.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -74.22 -25.59 59.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.0 0.04 46.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -92.23 160.49 15.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 30' ' ' THR . 9.4 mt -126.29 147.42 49.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 27' ' ' ARG . 1.3 mt -60.05 112.72 1.99 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 138.9 -56.95 0.63 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.63 -26.16 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.457 ' CD2' HD12 ' A' ' 64' ' ' LEU . 36.5 m-85 -87.16 168.49 17.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.97 55.23 3.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 6.3 p -102.78 172.33 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -177.86 147.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -49.42 101.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 132.75 -7.93 5.22 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.0 p -58.22 -162.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -152.29 113.55 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.468 ' CD1' HD21 ' A' ' 64' ' ' LEU . 11.9 mm -94.16 107.24 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -91.73 102.21 14.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.616 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.448 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 91.6 t -78.29 120.95 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.4 mt -93.35 102.86 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.7 104.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.0 OUTLIER -103.62 29.51 5.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.609 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.13 -59.85 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -43.95 -76.53 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.62 105.16 13.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 0.715 . . . . 0.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 176.8 -174.74 47.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 174.85 12.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.1 m -113.51 150.24 33.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.8 t -102.53 157.96 16.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -108.58 99.86 9.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.05 89.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.06 -124.89 2.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.128 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.53 125.27 15.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.72 86.52 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.961 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.29 -163.03 33.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.443 HG22 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -143.62 134.58 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' GLY . 2.0 mtp -93.55 118.12 30.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.69 151.88 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -92.01 102.53 15.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.9 mm -84.17 131.52 33.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 0.0 109.352 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 p -130.13 175.73 8.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.448 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 52.4 p -159.61 143.47 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -17.08 64.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mt -75.22 -58.75 3.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -87.05 119.8 27.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.2 m -74.3 64.09 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 t80 178.85 160.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -102.66 149.16 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -112.12 168.82 9.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -123.0 98.94 6.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -123.9 175.82 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -138.53 145.21 40.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -147.0 148.71 31.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 t -70.51 144.97 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.443 ' CG ' HG22 ' A' ' 8' ' ' VAL . 9.7 mtt180 -75.46 -0.48 20.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.36 2.72 31.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.5 mt -77.8 122.86 25.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 33' ' ' GLU . 40.1 p -64.55 129.03 38.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 66' ' ' GLN . 47.1 mm -35.67 -40.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.05 -56.87 14.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.2 mm-40 -57.79 -45.98 85.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.574 ' CE2' HD11 ' A' ' 71' ' ' LEU . 1.6 t80 -47.92 -51.49 23.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.47 -37.17 67.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.32 -30.36 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -31.5 59.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.483 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 15.0 mt -76.96 -27.11 54.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.517 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 34.0 mt-10 -45.81 -35.92 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.07 -30.01 20.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 38' ' ' LEU . 85.1 t -60.29 -41.9 88.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 14' ' ' SER . 0.8 OUTLIER -106.92 -18.83 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 80.08 2.76 89.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -99.14 165.72 14.33 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 109.97 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.62 16.75 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.438 ' HA ' ' CE ' ' A' ' 49' ' ' MET . . . -68.41 -21.19 64.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 59.7 p -77.91 0.56 23.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' HIS . 66.3 m -140.11 29.49 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.438 ' CE ' ' HA ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -146.42 127.9 15.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.979 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.23 173.45 7.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.1 mt -125.23 152.99 43.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -137.81 145.16 41.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.5 tp -119.49 111.99 18.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -106.62 151.51 24.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.49 -133.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.66 -71.83 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -55.71 -50.74 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 1.6 p30 155.02 47.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -98.81 115.33 28.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.9 128.09 35.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -106.72 -61.93 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.59 171.72 17.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.43 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -114.7 128.04 56.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.546 HD13 ' CE2' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -69.2 65.56 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 63' ' ' LYS . 2.4 t70 -73.04 -53.55 10.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.508 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 7.3 tp60 -45.13 138.14 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -98.55 -38.78 9.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -11.39 60.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -66.59 168.9 8.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.6 mt -132.28 150.31 52.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.574 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.6 mt -67.55 101.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.7 -42.59 0.67 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.105 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -16.25 25.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.546 ' CE2' HD13 ' A' ' 64' ' ' LEU . 53.4 m-85 -98.97 165.31 15.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 57.4 4.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 111.042 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.3 p -109.29 154.26 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -150.26 165.08 34.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.78 98.28 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 136.41 -9.82 4.07 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.8 p -57.34 -165.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 81' ' ' ARG . 22.3 ttm105 -143.64 111.12 5.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 6.4 mm -98.05 105.32 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -92.58 126.25 37.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.635 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.415 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 20.0 t -90.83 120.3 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.3 mt -88.67 102.73 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -58.8 100.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.5 m-70 -101.03 28.64 5.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.7 p -123.82 84.81 2.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -150.64 68.2 0.33 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.2 m 62.52 116.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 110.033 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.34 -100.36 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 176.79 9.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 m -102.42 -59.6 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.2 t 60.95 122.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -149.5 -57.49 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 110.033 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -162.33 136.52 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.48 98.13 0.19 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.14 102.4 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m 60.01 89.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.13 -151.82 26.07 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.442 ' CG2' ' HG3' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -145.59 139.63 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.1 ttm -92.72 122.93 35.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.428 ' CG1' ' SG ' ' A' ' 80' ' ' CYS . 32.7 m -130.22 143.07 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -91.87 104.28 16.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 21' ' ' SER . 19.8 mm -84.16 135.5 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.6 p -146.67 144.08 29.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.99 158.51 43.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.64 19.1 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.418 ' CG ' ' HB3' ' A' ' 86' ' ' ASP . 6.7 mt -93.01 -65.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -101.6 133.66 45.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -71.0 74.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -174.32 160.11 3.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -99.27 163.53 12.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -126.29 127.83 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.046 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -110.67 99.05 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -126.65 -179.42 4.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -136.83 143.16 42.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.405 ' CE2' ' HE1' ' A' ' 34' ' ' PHE . 35.1 m-85 -138.82 -178.74 5.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -105.32 145.69 30.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.442 ' HG3' ' CG2' ' A' ' 8' ' ' VAL . 30.9 mtm180 -75.35 -4.45 39.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.1 m -102.85 4.18 37.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' CD2' ' NZ ' ' A' ' 37' ' ' LYS . 6.5 mt -80.0 124.56 28.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' GLU . 63.1 p -65.61 128.82 37.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' C ' ' O ' ' A' ' 30' ' ' THR . 48.0 mm -35.2 -43.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.64 -57.47 12.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.8 mm-40 -56.76 -53.16 60.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.405 ' HE1' ' CE2' ' A' ' 25' ' ' TYR . 2.4 t80 -40.73 -45.8 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' HE3' ' CG2' ' A' ' 31' ' ' ILE . 20.2 mttt -60.9 -45.75 93.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.4 t -48.97 -36.82 18.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.268 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' NZ ' ' CD2' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.56 -38.47 77.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' VAL . 40.1 mt -67.11 -37.96 84.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.502 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 34.0 mt-10 -39.19 -34.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.5 mt -88.52 -41.83 12.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' LEU . 90.8 t -49.88 -40.93 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -103.77 -32.42 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 90.75 15.26 56.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.443 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -114.5 175.11 2.0 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.974 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.04 138.11 22.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.451 1.764 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.423 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . . . -78.96 -20.02 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.85 5.58 18.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.6 m -123.66 -58.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.312 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.438 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 7.6 ptp -55.05 149.31 12.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -108.51 157.06 18.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.456 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 6.4 mt -107.52 157.74 17.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 21.5 mt-10 -153.16 138.3 17.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.6 tp -112.25 111.45 22.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 68.2 m-85 -106.26 144.31 33.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.927 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.36 -122.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.65 -70.26 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 0.777 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ASP . 61.4 t0 -73.73 58.07 0.61 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 7.2 t0 38.34 55.45 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -108.74 112.73 25.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -58.94 135.71 57.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -111.11 -70.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.0 t -142.43 177.15 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.96 129.8 55.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -82.6 61.41 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.63 -50.5 6.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.48 ' CG ' ' HB1' ' A' ' 69' ' ' ALA . 2.9 tp-100 -41.33 107.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.05 -27.43 57.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.39 6.12 24.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.48 ' HB1' ' CG ' ' A' ' 66' ' ' GLN . . . -93.89 166.95 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.2 mt -129.84 151.85 49.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.432 ' O ' ' CA ' ' A' ' 27' ' ' ARG . 1.2 mt -64.61 109.78 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 142.75 -56.68 0.57 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.0 -25.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.441 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 31.8 m-85 -86.16 169.4 15.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.02 55.23 3.89 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.472 HG22 ' CB ' ' A' ' 80' ' ' CYS . 5.8 p -107.23 171.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -174.98 144.55 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.1 111.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 80' ' ' CYS . . . 119.58 -5.99 12.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.097 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.472 ' CB ' HG22 ' A' ' 76' ' ' VAL . 9.2 p -55.81 -168.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -148.99 111.42 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.422 ' HB ' ' CD1' ' A' ' 12' ' ' ILE . 5.2 mm -99.46 116.48 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -96.95 130.04 44.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.438 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 78.1 t -101.82 112.57 35.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 87' ' ' HIS . 64.5 mt -82.48 103.03 9.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.418 ' HB3' ' CG ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -54.38 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -101.65 21.34 14.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.561 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 t -85.8 62.62 7.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -84.22 80.54 1.82 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.2 t 62.99 117.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.982 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -150.05 112.72 0.56 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.39 18.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.9 p -156.11 155.36 32.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.4 p -129.83 163.01 27.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.947 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.965 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -167.23 -57.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.968 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.6 m -103.09 -60.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.53 -105.17 0.23 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -165.03 -67.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -172.79 170.32 4.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.39 -155.95 24.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.09 129.07 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 109.312 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.5 mtt -81.82 114.69 20.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.2 m -122.59 152.59 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -91.81 102.76 15.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.7 mm -84.82 130.73 35.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.438 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -131.66 175.76 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.986 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.479 ' CB ' HG13 ' A' ' 42' ' ' VAL . 1.6 p -170.15 148.2 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -21.83 66.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mt -67.14 -50.15 62.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -77.84 166.95 22.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 t -92.08 -41.89 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.6 -166.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.438 ' CG ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -99.83 159.81 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.367 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -111.46 168.98 9.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.65 98.48 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -122.32 173.7 7.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.19 147.53 43.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -153.45 142.73 21.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.2 t -69.47 148.44 49.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 71' ' ' LEU . 6.7 mtt180 -73.26 -2.48 22.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.348 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.1 p -100.13 -5.12 28.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.4 114.0 9.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' GLU . 72.4 p -58.92 134.42 56.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.443 ' CG2' ' O ' ' A' ' 66' ' ' GLN . 44.1 mm -37.42 -42.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.89 -54.34 47.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.7 mm-40 -62.4 -42.74 99.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -49.19 -44.64 43.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 37' ' ' LYS . 3.6 mttm -66.32 -46.37 77.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -28.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.421 ' N ' ' C ' ' A' ' 35' ' ' LYS . 19.0 mmtt -79.11 -50.94 10.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.451 ' CD1' HD22 ' A' ' 51' ' ' LEU . 17.8 mt -55.25 -27.06 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' GLY . 82.3 mt-10 -44.65 -57.44 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.543 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -66.16 -40.3 90.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.6 t -49.07 -63.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.479 HG13 ' CB ' ' A' ' 14' ' ' SER . 2.2 m -82.65 -8.78 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . 65.43 27.03 72.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -125.69 167.59 16.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.966 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 138.5 22.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' CB ' ' OE2' ' A' ' 39' ' ' GLU . . . -62.2 -17.0 56.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.59 2.19 49.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 87' ' ' HIS . 63.6 m -137.27 38.01 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.436 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -153.08 137.8 16.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 111.018 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.75 159.89 16.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.451 HD22 ' CD1' ' A' ' 38' ' ' LEU . 18.7 mt -114.0 149.97 34.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -143.37 139.71 30.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.337 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 76' ' ' VAL . 38.1 tp -112.32 116.98 31.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -107.72 154.1 21.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . -65.0 -124.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.161 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.69 -70.4 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -54.12 -52.06 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER 155.46 46.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 55' ' ' GLY . 22.8 tttt -102.56 114.1 28.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -59.87 136.56 58.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -109.47 -70.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.1 t -146.66 -176.91 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.7 mttp -116.53 142.56 46.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -91.11 59.71 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -71.99 -54.48 9.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.443 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -43.27 126.42 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HG2' ' N ' ' A' ' 68' ' ' ASP . 3.2 pt-20 -93.74 -36.64 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -69.62 -8.61 49.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.48 177.5 6.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.6 mt -139.26 155.64 47.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.358 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 27' ' ' ARG . 1.9 mt -70.21 105.32 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 147.69 -45.61 0.74 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.5 -22.27 42.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 110.008 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -91.57 165.76 20.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 55.3 3.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.467 ' CB ' HD11 ' A' ' 53' ' ' LEU . 8.9 p -119.08 168.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -170.98 166.46 7.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -62.42 102.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 138.51 -25.51 2.85 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.6 -170.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -136.13 121.0 18.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.1 mm -107.69 105.52 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -86.89 140.69 29.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.549 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.436 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 31.7 t -112.67 106.07 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.365 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.7 mt -78.46 102.77 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.03 97.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 48' ' ' CYS . 0.4 OUTLIER -92.86 21.22 5.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.602 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.03 25.97 11.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.97 67.82 0.28 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.54 93.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 110.042 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.97 96.38 0.19 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.89 5.84 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t 65.51 156.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 t -149.5 -58.9 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.459 1.1 . . . . 0.0 111.013 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 p -143.54 144.74 32.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.739 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.12 157.42 16.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.12 -77.25 0.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.87 97.77 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.48 158.82 3.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.23 -140.9 6.68 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.94 137.65 24.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 0.794 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 ttm -93.49 111.98 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 m -122.8 143.73 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -92.37 105.18 17.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.465 ' CG2' HG11 ' A' ' 41' ' ' VAL . 8.8 mm -83.58 133.39 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.72 165.37 26.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.425 ' CB ' HG12 ' A' ' 42' ' ' VAL . 53.0 p -165.06 153.87 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.003 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -7.62 50.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 86' ' ' ASP . 0.4 OUTLIER -88.8 -45.82 9.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.89 -27.22 25.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m 70.75 -66.62 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.04 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -58.81 174.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 143.16 26.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.7 OUTLIER -107.34 142.38 37.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -113.89 98.83 7.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -127.57 -179.28 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 ttt-85 -138.41 146.41 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -149.08 178.21 8.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 t -102.71 147.7 26.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' NH2' ' O ' ' A' ' 76' ' ' VAL . 5.7 mtp180 -74.96 -1.3 21.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.82 -7.48 23.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.3 mt -67.35 109.49 3.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 33' ' ' GLU . 43.6 p -56.13 133.43 52.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' THR . 44.7 mm -36.62 -42.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.417 ' CB ' ' HB2' ' A' ' 67' ' ' GLU . . . -61.87 -54.81 36.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.8 mm-40 -59.68 -44.02 93.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.408 ' CE1' ' CD2' ' A' ' 38' ' ' LEU . 1.5 t80 -48.41 -46.24 37.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.453 ' HG2' ' CD1' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -61.63 -49.92 74.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.72 -29.36 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.356 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -77.26 -51.14 11.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 41' ' ' VAL . 17.5 mt -53.63 -28.45 32.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.448 ' CG ' ' HB3' ' A' ' 46' ' ' ALA . 31.7 mt-10 -47.41 -31.59 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.247 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.25 -25.95 18.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.465 HG11 ' CG2' ' A' ' 12' ' ' ILE . 44.9 t -71.06 -42.07 76.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.425 HG12 ' CB ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -103.12 -8.43 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.94 21.25 60.98 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -118.68 168.88 8.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.933 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 136.19 20.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.553 1.817 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.448 ' HB3' ' CG ' ' A' ' 39' ' ' GLU . . . -71.66 -5.77 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.75 4.7 52.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 87' ' ' HIS . 57.7 m -144.11 33.33 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.308 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.436 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -148.4 129.95 14.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -96.83 159.14 15.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.453 ' CD1' ' HG2' ' A' ' 35' ' ' LYS . 39.5 mt -115.37 141.55 47.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -132.87 148.48 52.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.3 tp -119.22 107.73 13.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -101.2 154.53 18.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.16 -120.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.74 -69.59 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.746 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 4.1 m-20 -63.57 -47.49 81.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 2.7 t70 159.11 72.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -127.03 95.11 4.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -53.77 138.8 34.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -114.65 -78.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.14 171.06 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -108.64 132.93 53.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.446 HD11 ' CE2' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -76.96 57.12 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -66.58 -52.6 43.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.423 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -52.22 123.71 11.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HG2' ' N ' ' A' ' 68' ' ' ASP . 3.7 pt-20 -89.26 -35.77 15.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -67.11 -15.27 63.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.03 173.81 6.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.81 160.88 37.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 27' ' ' ARG . 2.1 mt -75.12 104.79 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 148.14 -44.52 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -15.79 59.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 110.028 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.446 ' CE2' HD11 ' A' ' 64' ' ' LEU . 20.3 m-85 -94.11 168.42 11.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 54.43 3.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.45 HG23 ' CB ' ' A' ' 80' ' ' CYS . 8.9 p -122.96 168.3 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -174.96 164.15 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -51.89 117.56 2.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 117.01 -24.9 9.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.45 ' CB ' HG23 ' A' ' 76' ' ' VAL . 4.6 m -55.62 -172.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -137.57 142.31 41.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 11.7 mm -121.15 102.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -89.94 119.29 30.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.603 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.436 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 58.6 t -94.04 126.66 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.4 mt -96.93 103.82 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -57.24 106.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.4 m-70 -104.3 24.06 12.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.631 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.5 -56.19 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 109.981 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 90' ' ' SER . . . -63.71 110.06 3.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 89' ' ' GLY . 3.5 t 81.91 100.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 0.733 . . . . 0.0 109.992 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 152.04 113.97 0.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 119.04 5.49 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.06 138.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.42 -57.96 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.486 1.117 . . . . 0.0 110.991 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -157.38 105.62 2.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.787 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 45.76 78.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.052 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.22 -77.67 0.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 7' ' ' GLY . 3.0 m -67.41 -42.6 82.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 0.778 . . . . 0.0 110.02 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.44 -82.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -174.78 -141.42 3.64 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.66 131.58 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.2 mtt -89.74 112.66 24.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.1 m -120.46 153.72 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -91.95 103.38 15.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.443 ' CD1' ' HB ' ' A' ' 82' ' ' ILE . 12.0 mm -85.65 139.38 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.464 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 94.2 p -140.24 177.88 7.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.452 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 21.8 p -163.84 137.24 5.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -24.23 67.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.08 -50.08 71.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -99.0 127.39 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.01 60.11 1.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 179.54 161.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.464 ' CG ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -105.93 163.71 12.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.27 173.04 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -122.11 98.01 5.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 10.1 mmtt -113.85 177.1 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 5.2 ttt-85 -138.51 146.86 42.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CE2' HD23 ' A' ' 38' ' ' LEU . 35.0 m-85 -153.76 148.47 26.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.9 t -73.99 146.93 43.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.43 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 6.5 mtt180 -74.76 -1.66 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 m -103.09 -0.39 30.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.072 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mt -74.38 120.66 20.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' GLU . 62.1 p -64.11 131.02 46.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.479 ' CG2' ' HE3' ' A' ' 35' ' ' LYS . 49.1 mm -37.64 -42.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.55 -53.21 60.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.2 mm-40 -61.39 -54.71 40.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.582 ' CD2' HD12 ' A' ' 71' ' ' LEU . 1.6 t80 -37.34 -58.21 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.479 ' HE3' ' CG2' ' A' ' 31' ' ' ILE . 71.9 mttt -50.17 -44.56 52.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.4 t -54.04 -37.7 64.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -70.21 -31.71 69.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.57 HD23 ' CE2' ' A' ' 25' ' ' TYR . 25.6 mt -74.96 -28.33 60.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' O ' ' HA2' ' A' ' 43' ' ' GLY . 74.3 mt-10 -48.82 -26.88 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.49 -25.86 17.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' LEU . 32.9 t -72.79 -47.75 48.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 14' ' ' SER . 0.9 OUTLIER -92.92 -32.48 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 93.81 -6.95 73.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -95.36 162.92 23.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 136.54 20.61 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 35' ' ' LYS . . . -65.96 -11.44 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.69 -3.35 58.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' HIS . 83.1 m -137.61 29.06 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.438 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -145.28 131.18 19.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.6 168.17 10.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 38' ' ' LEU . 51.3 mt -124.35 155.86 38.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' A' ' 60' ' ' PHE . 3.2 mm-40 -140.09 140.85 36.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 15.3 tp -112.31 108.68 17.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 76.2 m-85 -103.82 143.3 33.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 59' ' ' LYS . . . -67.96 -123.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.118 . . . . 0.0 111.057 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.36 -70.69 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 58' ' ' ASP . 46.3 p-10 -74.79 58.03 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 57' ' ' ASP . 22.6 t70 39.98 65.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' CG ' ' HA3' ' A' ' 55' ' ' GLY . 12.3 ptmt -117.42 109.3 16.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.601 ' CE1' ' OE2' ' A' ' 52' ' ' GLU . 34.8 t80 -60.17 133.91 56.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.401 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 3.6 m-30 -114.42 -65.3 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.77 169.05 24.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -104.74 143.05 33.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.424 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -86.28 73.52 10.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -94.54 -51.67 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -41.32 104.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.99 -21.85 56.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.21 6.88 40.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.08 164.41 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.478 ' CD2' HG23 ' A' ' 30' ' ' THR . 4.0 mt -125.55 148.45 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.582 HD12 ' CD2' ' A' ' 34' ' ' PHE . 1.5 mt -64.3 101.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.69 -45.26 0.6 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.32 -21.64 50.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 110.03 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -90.64 166.45 19.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.56 3.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.496 ' CG2' ' SG ' ' A' ' 80' ' ' CYS . 4.9 p -115.65 167.91 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -170.97 159.77 6.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.72 102.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 135.17 -13.13 4.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.442 1.089 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.496 ' SG ' ' CG2' ' A' ' 76' ' ' VAL . 9.3 p -58.78 -164.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -146.77 111.02 5.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.443 ' HB ' ' CD1' ' A' ' 12' ' ' ILE . 4.2 mm -96.73 113.43 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -98.65 124.35 43.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.628 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.438 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 32.5 t -92.19 116.34 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.0 mt -89.73 102.9 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.59 102.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' CYS . 0.9 OUTLIER -101.11 25.32 8.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.597 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.4 t -112.41 62.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.09 -118.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.72 177.84 5.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.964 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.85 166.57 11.12 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.782 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.83 96.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.3 p -176.3 -59.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.614 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -137.27 133.67 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.408 ' O ' ' HA ' ' A' ' 78' ' ' ASP . 2.7 mtt -81.99 118.28 22.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.0 m -127.79 150.14 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -92.32 103.1 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.852 HD13 ' HB ' ' A' ' 82' ' ' ILE . 4.8 mm -84.26 138.99 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 t -134.18 179.35 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.497 ' CB ' HG12 ' A' ' 42' ' ' VAL . 44.4 p -173.51 134.08 0.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -50.99 -23.88 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.964 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 86' ' ' ASP . 0.5 OUTLIER -71.7 -49.2 41.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.33 143.54 33.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -59.27 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.976 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -101.6 173.08 6.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.52 157.99 23.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.6 m -105.6 171.29 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -122.84 99.59 6.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -125.29 177.4 6.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -138.72 147.2 42.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -153.32 142.61 21.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.4 t -68.34 147.92 51.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.614 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.9 mtt180 -72.44 -3.89 26.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.26 -5.75 39.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.1 mt -72.53 106.66 4.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.661 HG22 HD23 ' A' ' 70' ' ' LEU . 3.1 p -56.11 136.8 52.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.443 HG21 ' O ' ' A' ' 64' ' ' LEU . 36.7 mm -37.33 -48.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.9 -52.45 64.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.7 mm-40 -62.45 -48.8 78.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.696 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -43.81 -46.51 7.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.855 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -61.34 -47.2 86.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -29.7 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' A' ' 35' ' ' LYS . 4.2 mmtt -77.86 -56.54 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.696 HD21 ' CE1' ' A' ' 34' ' ' PHE . 9.2 mt -48.04 -27.02 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.687 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 24.3 mt-10 -51.11 -30.6 16.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.9 mt -93.27 -22.36 19.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.6 t -74.68 -58.4 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.2 m -85.05 -16.12 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 72.56 5.9 64.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.426 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -103.78 173.83 3.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 110.007 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.99 132.51 15.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.855 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -72.69 -18.99 61.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.1 6.1 17.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.7 m -127.51 -59.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 108.27 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.493 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.2 ptp -52.73 152.26 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.432 ' HB3' HD12 ' A' ' 85' ' ' ILE . 2.1 tp10 -117.48 157.17 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.353 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.625 ' CD2' HD12 ' A' ' 38' ' ' LEU . 14.8 mt -112.97 154.15 26.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.619 ' CD ' HD11 ' A' ' 85' ' ' ILE . 46.6 mt-10 -144.94 139.5 27.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.708 HD13 HG23 ' A' ' 76' ' ' VAL . 7.6 tp -107.45 98.85 8.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -94.72 141.54 28.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.35 -142.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.24 -73.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 0.794 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' ASP . 11.8 t0 -74.64 58.08 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' ASP . 19.1 m-20 39.62 75.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.98 96.25 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -48.17 137.33 10.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -114.58 -74.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.81 174.43 10.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -109.32 143.11 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.476 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -90.65 63.3 5.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -81.83 -42.8 19.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.458 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.9 OUTLIER -53.04 114.0 1.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -90.28 -26.44 20.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.45 11.32 14.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -99.3 158.25 15.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.661 HD23 HG22 ' A' ' 30' ' ' THR . 18.3 mt -106.18 134.06 49.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.441 ' O ' ' CA ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -56.05 101.14 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.59 -44.93 0.58 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 p -51.13 -22.08 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.029 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.465 ' CE2' HD12 ' A' ' 64' ' ' LEU . 25.2 m-85 -84.88 167.69 25.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.68 4.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.545 1.813 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.708 HG23 HD13 ' A' ' 53' ' ' LEU . 5.0 p -117.52 172.16 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.52 ' H ' HG22 ' A' ' 76' ' ' VAL . 18.1 m-20 -173.58 161.16 3.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.361 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.4 OUTLIER -58.59 96.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.33 -16.22 2.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.32 -172.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.49 130.43 42.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.852 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.0 mm -111.33 101.52 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -88.39 110.63 20.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.587 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG2' HD13 ' A' ' 38' ' ' LEU . 46.4 t -84.99 117.7 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.619 HD11 ' CD ' ' A' ' 52' ' ' GLU . 53.8 mt -87.49 102.69 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.629 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -64.03 101.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.6 m80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.628 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.62 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -128.03 126.14 65.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.453 0.737 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.0 OUTLIER -75.9 105.79 7.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.84 149.71 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -92.52 103.16 15.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.66 HD13 ' HB ' ' A' ' 82' ' ' ILE . 9.7 mm -84.55 133.71 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 t -131.37 171.15 13.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 110.019 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.2 p -158.08 146.88 19.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -4.51 38.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.67 HD11 ' OD1' ' A' ' 86' ' ' ASP . 4.1 mt -76.59 -50.09 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -111.86 135.48 52.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.3 m -79.41 68.61 5.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.03 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -179.74 159.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -103.79 151.06 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -108.59 167.06 10.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -122.89 99.61 6.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -125.46 177.16 6.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 3.0 ttt180 -136.49 144.24 44.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.497 ' OH ' HG21 ' A' ' 41' ' ' VAL . 75.7 m-85 -149.3 142.31 24.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 28' ' ' SER . 5.8 t -72.24 125.92 28.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.027 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.62 ' HG2' HG21 ' A' ' 8' ' ' VAL . 1.2 mtt85 -46.51 -23.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -65.56 -37.43 86.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.054 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 29' ' ' LEU . 9.2 mt -42.6 111.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.846 HG22 ' CD2' ' A' ' 70' ' ' LEU . 80.4 p -64.44 137.39 57.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 30' ' ' THR . 38.2 mm -34.41 -41.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -63.3 -58.88 5.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.3 mm-40 -56.88 -42.22 79.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -49.16 -47.78 45.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.848 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 2.1 mttm -62.4 -47.93 81.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -48.34 -30.16 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 108.325 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -76.43 -48.76 18.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.709 HD21 ' CE1' ' A' ' 34' ' ' PHE . 30.2 mt -59.25 -33.36 70.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.788 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 25.2 mt-10 -39.43 -35.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.8 mt -87.29 -50.02 6.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.497 HG21 ' OH ' ' A' ' 25' ' ' TYR . 79.4 t -41.09 -37.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -111.0 -19.17 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 73.58 21.47 79.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -116.65 174.46 2.46 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.754 . . . . 0.0 110.015 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.94 135.4 19.15 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.549 1.815 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.848 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -77.58 -20.14 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.24 0.51 24.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.8 m -118.11 -66.08 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.26 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 8.3 ptp -44.35 154.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -116.45 161.87 18.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.55 HD21 HD12 ' A' ' 38' ' ' LEU . 21.9 mt -114.44 143.3 45.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -141.87 131.55 24.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.637 HD13 ' CG2' ' A' ' 76' ' ' VAL . 12.1 tp -104.76 107.14 17.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -91.87 147.4 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . -74.49 -144.13 0.91 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.422 1.076 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.7 -66.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 58' ' ' ASP . 9.0 t0 -77.44 55.28 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' ASP . 29.0 m-20 37.96 78.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.5 tttm -138.23 107.43 6.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -53.06 139.83 27.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -112.32 -80.19 0.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.45 178.1 6.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.53 132.31 53.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -88.49 66.85 8.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.36 -48.25 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.891 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 4.3 tp60 -40.69 107.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -73.61 -42.22 61.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -12.18 31.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.891 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -81.68 153.39 26.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.846 ' CD2' HG22 ' A' ' 30' ' ' THR . 24.7 mt -113.06 134.76 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -54.09 101.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.0 -50.23 0.51 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.45 -23.51 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -82.57 166.89 33.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.82 3.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.637 ' CG2' HD13 ' A' ' 53' ' ' LEU . 9.7 p -124.13 166.72 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -171.84 165.99 6.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -57.43 103.48 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 137.38 -18.68 3.45 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.6 m -68.43 -173.36 0.42 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.89 129.21 36.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.272 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.66 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.8 mm -108.79 100.47 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -82.92 105.41 13.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.623 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 38.8 t -85.52 103.03 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.3 mt -74.07 103.76 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.67 ' OD1' HD11 ' A' ' 16' ' ' LEU . 37.0 t70 -59.43 105.43 0.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.634 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.685 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -142.01 132.92 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.781 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.41 ' O ' ' HA ' ' A' ' 78' ' ' ASP . 1.4 mpp? -94.5 115.72 27.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.7 m -120.34 151.4 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -94.4 103.05 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.784 HD13 ' HB ' ' A' ' 82' ' ' ILE . 7.5 mm -84.27 141.92 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -150.21 165.1 33.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.39 157.51 42.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -23.3 63.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.51 -47.41 86.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -117.05 119.01 33.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.08 78.34 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -177.57 169.52 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -110.91 134.04 52.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 m -98.96 166.6 11.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.061 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -122.55 98.79 6.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HE3' HG22 ' A' ' 41' ' ' VAL . 2.9 mmtt -123.51 175.61 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 6.3 ttt180 -135.53 143.41 45.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.4 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 37.8 m-85 -147.81 157.01 43.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.9 t -83.23 147.65 27.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.685 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.5 mtp180 -74.09 -1.88 22.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.4 m -101.35 -3.22 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.573 HD13 ' HD3' ' A' ' 37' ' ' LYS . 7.2 mt -73.29 107.69 5.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.835 HG22 ' CD2' ' A' ' 70' ' ' LEU . 40.8 p -53.93 133.45 43.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 64' ' ' LEU . 43.2 mm -37.98 -42.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -61.16 -52.65 63.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.0 mm-40 -59.5 -52.3 66.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -42.31 -45.29 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.79 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.5 mttm -58.15 -40.5 81.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -56.42 -35.09 67.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.276 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.573 ' HD3' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -71.37 -35.78 71.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.781 HD12 HD21 ' A' ' 51' ' ' LEU . 23.5 mt -71.29 -35.48 71.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.815 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 32.3 mt-10 -40.86 -30.08 0.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.9 mt -92.82 -42.97 9.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.515 HG11 HG21 ' A' ' 12' ' ' ILE . 98.1 t -51.84 -35.8 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -107.77 -31.01 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.485 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 89.13 1.86 78.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -100.94 173.77 3.42 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.03 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.03 137.4 21.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.815 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . . . -75.01 -19.91 59.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.33 0.75 27.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.0 m -120.72 -65.3 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.478 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.1 ptp -46.53 150.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 84' ' ' VAL . 3.3 tp10 -112.12 160.53 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.781 HD21 HD12 ' A' ' 38' ' ' LEU . 39.1 mt -115.11 144.39 43.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.478 ' CD ' HD11 ' A' ' 85' ' ' ILE . 3.7 mt-10 -138.83 145.13 39.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.594 HD21 ' O ' ' A' ' 75' ' ' PRO . 14.7 tp -114.28 102.79 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.527 ' CE2' ' NH2' ' A' ' 81' ' ' ARG . 9.0 m-85 -93.8 146.92 23.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.78 -132.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.18 -72.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 3.9 t70 -52.98 -52.68 57.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 2.3 p30 154.05 60.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -116.42 110.13 18.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -61.43 140.63 58.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -114.75 -76.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.16 172.49 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.956 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.07 135.89 44.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.499 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -86.34 68.77 10.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.3 -46.34 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.904 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 22.6 tp60 -41.42 103.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.539 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 1.2 mt-10 -71.0 -42.46 69.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -13.97 31.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.904 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -83.61 158.13 22.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.835 ' CD2' HG22 ' A' ' 30' ' ' THR . 13.4 mt -119.38 148.31 43.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.464 HD11 ' CE2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -64.32 103.07 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.247 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 147.56 -40.37 0.98 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -19.57 65.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.421 ' CD2' HD12 ' A' ' 64' ' ' LEU . 11.8 m-85 -86.16 169.03 16.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.052 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.594 ' O ' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.01 55.39 3.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 77' ' ' ASP . 7.5 p -123.36 167.81 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 76' ' ' VAL . 32.2 t0 -174.52 165.21 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.9 OUTLIER -58.25 100.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.78 -21.44 2.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.4 m -68.67 -173.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.527 ' NH2' ' CE2' ' A' ' 54' ' ' TYR . 33.2 ttp180 -136.17 142.24 44.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.784 ' HB ' HD13 ' A' ' 12' ' ' ILE . 3.6 mm -115.01 99.89 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 70.7 t60 -84.94 97.57 9.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.563 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.478 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 96.4 t -77.32 109.36 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.478 HD11 ' CD ' ' A' ' 52' ' ' GLU . 53.0 mt -76.01 102.62 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 2.6 p-10 -57.53 116.28 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.628 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.637 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -138.03 128.11 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' ASP . 2.5 mtt -84.33 110.94 18.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.79 148.35 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -91.88 102.5 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.824 HD13 ' HB ' ' A' ' 82' ' ' ILE . 11.0 mm -84.15 146.49 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 p -152.86 -176.45 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -171.28 165.65 7.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 t -78.11 -23.05 48.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.98 -61.98 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -108.11 119.61 39.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.36 71.45 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -169.82 157.63 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -100.03 146.66 26.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -112.01 167.69 10.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.987 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -122.97 98.54 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -120.6 173.66 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 10.3 ttt180 -138.14 143.64 40.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.415 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 14.1 m-85 -149.51 161.55 41.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 111.051 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -86.05 145.58 27.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.637 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.7 mtt180 -70.14 -7.15 39.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.47 -19.66 19.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.975 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 29' ' ' LEU . 6.7 mt -57.8 121.32 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.746 HG22 HD23 ' A' ' 70' ' ' LEU . 1.4 p -68.57 136.05 52.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.511 HG22 ' CE ' ' A' ' 35' ' ' LYS . 28.0 mm -37.51 -49.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.413 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -51.31 -51.99 49.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 30' ' ' THR . 5.1 mm-40 -65.53 -53.5 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CE2' HD11 ' A' ' 71' ' ' LEU . 3.4 t80 -41.43 -46.27 3.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.593 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 24.9 mttt -62.94 -41.11 99.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -50.42 -32.79 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 108.316 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 8.9 mptt -75.1 -37.62 61.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.637 HD22 HG21 ' A' ' 12' ' ' ILE . 19.6 mt -70.88 -29.22 65.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.622 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 47.9 mt-10 -44.75 -31.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.32 -30.49 15.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.113 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' LEU . 84.0 t -61.71 -40.52 87.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -105.04 -26.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 86.75 7.46 78.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -105.28 168.6 8.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.23 20.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.622 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . . . -70.74 -21.86 62.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.1 2.4 20.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 66.7 m -122.21 -65.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.272 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.488 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.3 ptp -44.89 159.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HB3' HD12 ' A' ' 85' ' ' ILE . 2.5 tp10 -123.24 160.38 26.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.572 HD12 ' HE3' ' A' ' 35' ' ' LYS . 40.7 mt -109.42 161.11 15.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.79 ' CD ' HD11 ' A' ' 85' ' ' ILE . 56.0 mt-10 -157.19 128.42 6.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.494 HD21 ' O ' ' A' ' 75' ' ' PRO . 12.6 tp -100.88 109.25 21.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -93.18 146.59 23.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 111.04 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.71 -140.28 0.66 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.04 -73.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 58' ' ' ASP . 24.6 t0 -75.14 57.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER 39.49 74.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.91 98.96 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.555 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 0.8 OUTLIER -50.74 137.86 19.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -115.73 -80.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.46 164.54 19.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.469 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -104.81 132.28 51.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD12 ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -80.87 72.32 7.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -93.17 -39.84 10.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.547 ' HB3' ' HB2' ' A' ' 69' ' ' ALA . 20.0 tp60 -49.64 116.53 1.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 7.5 mt-10 -81.3 -36.19 30.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -3.47 35.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -78.02 173.68 11.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.746 HD23 HG22 ' A' ' 30' ' ' THR . 1.6 mt -141.19 141.05 34.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.468 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.8 mt -57.2 102.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.54 -46.64 0.62 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.97 -18.87 15.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 0.74 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CE2' HD12 ' A' ' 64' ' ' LEU . 47.9 m-85 -95.53 166.24 15.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.494 ' O ' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.01 54.7 3.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.467 1.772 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.3 p -118.5 156.87 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -159.83 164.56 33.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -60.99 92.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 149.85 -28.3 1.15 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.74 -170.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 ttm105 -134.2 140.91 46.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.824 ' HB ' HD13 ' A' ' 12' ' ' ILE . 3.8 mm -118.61 100.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -82.92 120.97 26.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.65 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.488 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 23.3 t -97.99 116.49 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.79 HD11 ' CD ' ' A' ' 52' ' ' GLU . 23.0 mt -87.79 103.34 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.85 98.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 109.648 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.432 HG21 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -132.66 129.01 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 109.34 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.48 107.67 20.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.453 HG12 ' SG ' ' A' ' 80' ' ' CYS . 28.7 m -111.08 151.37 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -93.78 102.38 14.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.959 HD13 ' HB ' ' A' ' 82' ' ' ILE . 5.7 mm -84.2 128.37 38.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.14 164.53 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.423 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 82.8 p -155.01 148.16 24.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.409 ' CB ' ' OD1' ' A' ' 86' ' ' ASP . 0.2 OUTLIER -63.03 -17.41 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.043 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' A' ' 86' ' ' ASP . 2.1 mt -70.82 -45.49 64.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -108.41 118.84 37.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.65 70.24 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 178.99 -177.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -119.55 133.0 55.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.9 m -93.28 163.12 13.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -122.92 98.98 6.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.617 ' NZ ' HG22 ' A' ' 41' ' ' VAL . 5.3 mmtt -126.45 178.72 5.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -134.94 146.3 49.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -151.6 141.29 21.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 24.3 t -72.26 128.66 36.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' CG ' HG21 ' A' ' 8' ' ' VAL . 11.4 mtm180 -50.93 -20.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.8 p -69.86 -36.82 75.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.167 . . . . 0.0 110.028 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 29' ' ' LEU . 10.1 mt -43.58 118.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.907 HG22 HD23 ' A' ' 70' ' ' LEU . 1.3 p -73.26 137.71 45.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.485 ' C ' ' O ' ' A' ' 30' ' ' THR . 15.2 mm -32.84 -48.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.451 ' HB2' ' HG2' ' A' ' 67' ' ' GLU . . . -54.1 -61.45 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.7 mm-40 -56.08 -52.82 62.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.699 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -39.3 -44.25 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.812 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -62.61 -48.8 77.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.5 OUTLIER -46.6 -33.04 3.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 41' ' ' VAL . 16.7 mmtt -72.39 -47.28 50.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.699 HD21 ' CE1' ' A' ' 34' ' ' PHE . 7.0 mt -58.57 -34.53 71.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.684 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 44.4 mt-10 -46.19 -30.36 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.65 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -93.82 -27.82 16.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.617 HG22 ' NZ ' ' A' ' 23' ' ' LYS . 43.4 t -70.18 -44.1 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -96.98 -32.57 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 91.82 1.85 70.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.426 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.2 OUTLIER -102.13 173.96 3.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.026 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.05 138.69 23.25 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.812 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -75.29 -19.31 59.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.4 5.23 18.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 77.6 m -126.23 -63.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.478 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.4 ptp -45.58 148.9 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -110.64 153.62 24.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.641 HD11 ' CG ' ' A' ' 35' ' ' LYS . 16.5 mt -110.59 144.84 38.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 3.4 mt-10 -140.57 137.92 34.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.462 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 12.9 tp -112.26 107.75 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 55' ' ' GLY . 55.8 m-85 -102.07 148.54 25.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 54' ' ' TYR . . . -58.2 -118.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -107.5 -69.91 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -61.7 -47.57 84.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER 159.32 46.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -95.97 96.86 9.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -60.03 130.96 49.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.402 ' CE2' ' HA2' ' A' ' 55' ' ' GLY . 9.5 m-85 -106.35 -79.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -138.3 169.77 17.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -103.7 132.14 50.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.458 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.5 81.05 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -105.66 -53.51 2.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.448 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 28.7 tp60 -42.95 115.02 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' HG2' ' HB2' ' A' ' 32' ' ' ALA . 2.9 mt-10 -76.38 -41.14 48.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.47 -14.32 62.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -75.65 143.61 42.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.907 HD23 HG22 ' A' ' 30' ' ' THR . 63.4 mt -104.23 132.72 50.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -52.71 101.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.28 -54.57 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.84 -27.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.418 ' CD2' HD12 ' A' ' 64' ' ' LEU . 30.9 m-85 -79.16 168.44 26.84 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HD2' ' CD2' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 55.56 3.98 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.456 1.766 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.453 HG22 ' H ' ' A' ' 77' ' ' ASP . 9.8 p -104.99 168.58 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.453 ' H ' HG22 ' A' ' 76' ' ' VAL . 12.1 m-20 -169.02 153.82 5.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.02 98.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.63 -7.04 4.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.453 ' SG ' HG12 ' A' ' 10' ' ' VAL . 11.9 p -57.5 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -146.63 111.35 5.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.959 ' HB ' HD13 ' A' ' 12' ' ' ILE . 5.4 mm -95.62 100.45 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -87.05 109.62 19.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.566 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.478 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 25.5 t -89.87 107.26 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.7 mt -79.55 102.79 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.654 ' HB3' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -54.21 98.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.602 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -129.5 129.21 66.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.561 0.8 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 mtp -85.15 117.25 23.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 m -124.95 150.59 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -92.05 103.28 15.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.857 HD13 ' HB ' ' A' ' 82' ' ' ILE . 6.0 mm -84.4 135.34 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.11 -178.01 4.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.442 ' OG ' ' ND2' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -170.79 161.61 7.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.024 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.68 -15.5 51.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.589 HD11 ' OD1' ' A' ' 86' ' ' ASP . 1.2 mt -69.2 -63.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.442 ' ND2' ' OG ' ' A' ' 14' ' ' SER . 2.6 p30 -74.09 -36.52 64.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.97 32.7 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -143.78 172.96 12.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -102.69 129.17 49.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.6 m -104.26 171.74 7.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -122.44 98.67 6.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 4.5 mmtt -122.84 174.7 6.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.526 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 14.4 ttt-85 -138.11 146.75 43.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.526 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 28.4 m-85 -152.17 149.99 29.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.2 t -77.21 149.17 35.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.963 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.602 ' HG2' HG21 ' A' ' 8' ' ' VAL . 8.3 mtt180 -73.7 -1.81 20.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.358 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.93 -0.3 29.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.3 mt -76.28 112.5 12.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.653 HG22 ' CD2' ' A' ' 70' ' ' LEU . 33.5 p -57.8 133.31 55.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.807 HG22 ' HE3' ' A' ' 35' ' ' LYS . 42.6 mm -38.36 -42.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -60.8 -51.75 68.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.4 mm-40 -62.68 -47.71 82.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.762 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.5 t80 -45.46 -47.06 13.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.827 ' CG ' HD11 ' A' ' 51' ' ' LEU . 22.4 mttt -60.11 -43.57 95.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.85 -36.55 7.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.351 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 13.3 mptt -72.99 -38.84 66.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.762 HD21 ' CE1' ' A' ' 34' ' ' PHE . 20.0 mt -66.34 -28.42 68.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.746 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 42.0 mt-10 -50.17 -30.85 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.2 mt -92.59 -23.54 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.64 -42.78 80.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -105.55 -10.74 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.429 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 69.07 12.8 65.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.563 1.164 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -109.23 172.54 3.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.753 . . . . 0.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.86 20.86 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.485 1.782 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.777 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -77.21 -19.77 56.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.75 3.01 20.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.9 m -123.61 -64.98 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.559 ' HE3' ' HA ' ' A' ' 46' ' ' ALA . 6.9 ptp -45.17 160.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.679 ' O ' HD23 ' A' ' 51' ' ' LEU . 3.2 tp10 -120.05 167.04 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.827 HD11 ' CG ' ' A' ' 35' ' ' LYS . 12.2 mt -119.77 162.7 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 40.5 mt-10 -155.0 135.29 13.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.571 ' HB2' HD21 ' A' ' 64' ' ' LEU . 24.9 tp -109.5 103.26 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.519 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 62.5 m-85 -99.8 143.12 30.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.99 -130.36 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.27 -71.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ASP . 5.3 t70 -74.01 57.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.519 ' OD1' ' CD2' ' A' ' 54' ' ' TYR . 26.8 t0 38.41 58.54 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.92 111.99 23.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -61.57 133.54 55.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -110.27 -67.5 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.08 169.96 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.038 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.53 130.06 50.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -82.03 69.27 8.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -95.49 -42.96 8.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.934 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 2.7 tp-100 -47.14 109.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.51 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -76.88 -31.89 57.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.36 0.4 25.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.934 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -87.23 174.07 8.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.653 ' CD2' HG22 ' A' ' 30' ' ' THR . 1.2 mt -140.29 147.91 40.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 71' ' ' LEU . 1.2 mt -59.75 117.95 5.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 132.03 -56.29 0.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.02 -25.92 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 110.023 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CE2' HD12 ' A' ' 64' ' ' LEU . 30.1 m-85 -86.75 168.8 16.84 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.98 55.51 3.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.664 HG22 ' H ' ' A' ' 77' ' ' ASP . 5.7 p -103.17 176.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.664 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.5 p30 -175.49 141.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -49.96 96.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.3 -14.87 2.99 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -137.58 124.51 21.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.857 ' HB ' HD13 ' A' ' 12' ' ' ILE . 8.9 mm -106.5 100.06 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -88.91 124.19 33.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.562 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.457 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 64.7 t -98.35 126.6 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.6 mt -95.76 102.69 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.589 ' OD1' HD11 ' A' ' 16' ' ' LEU . 22.8 t70 -57.64 103.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.5 m170 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.566 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.655 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -129.04 128.24 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.48 110.41 12.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 m -122.55 146.46 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -92.15 104.04 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.748 HD13 ' HB ' ' A' ' 82' ' ' ILE . 14.4 mm -84.33 134.98 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 p -135.43 154.18 51.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.942 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.44 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 27.8 p -145.34 142.74 29.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -8.46 53.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.009 HD11 ' OD1' ' A' ' 86' ' ' ASP . 3.9 mt -78.43 -46.84 18.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.2 -26.84 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t 60.29 50.72 5.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -163.19 163.73 25.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.161 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -94.89 124.11 38.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -98.74 168.49 10.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -122.5 99.28 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -126.06 175.37 7.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 2.6 ttt-85 -138.6 147.46 42.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 52.4 m-85 -152.81 154.53 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.9 t -78.23 148.04 34.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.655 ' HG2' HG21 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -74.25 -1.86 22.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.81 -0.49 34.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 29' ' ' LEU . 6.9 mt -75.5 111.91 11.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.71 HG22 ' CD2' ' A' ' 70' ' ' LEU . 74.3 p -56.91 133.85 54.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.479 HD12 ' HG ' ' A' ' 64' ' ' LEU . 47.5 mm -37.39 -43.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.06 -53.81 52.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.3 mm-40 -61.1 -45.74 93.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -46.95 -47.08 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.746 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 4.3 mttm -62.92 -45.88 90.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.402 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -44.43 -33.44 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 108.318 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -74.94 -45.4 42.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 42' ' ' VAL . 22.5 mt -61.05 -32.24 71.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.693 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 64.5 mt-10 -44.8 -34.74 2.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.227 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.722 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -86.29 -41.62 14.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.9 t -49.49 -42.29 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -103.2 -29.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 87.57 20.88 49.99 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -119.66 173.6 3.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.0 139.16 23.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.746 ' HB1' ' CB ' ' A' ' 35' ' ' LYS . . . -79.05 -20.56 48.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.51 4.42 18.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 90.8 m -121.63 -57.88 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.317 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.432 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 5.5 ptp -57.85 148.63 24.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.47 ' HB3' HD12 ' A' ' 85' ' ' ILE . 3.1 tp10 -108.17 157.64 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.47 ' CD2' HG22 ' A' ' 84' ' ' VAL . 13.9 mt -114.94 163.37 15.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.489 ' OE2' ' CE1' ' A' ' 60' ' ' PHE . 21.3 mt-10 -158.56 140.79 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.728 HD11 HG23 ' A' ' 76' ' ' VAL . 53.1 tp -105.88 131.82 52.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 26.5 m-85 -121.74 151.04 40.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.72 -125.35 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.5 -70.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 58' ' ' ASP . 19.5 t0 -73.47 58.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' ASP . 77.9 m-20 39.4 68.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 17.5 tttp -120.78 110.47 16.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.489 ' CE1' ' OE2' ' A' ' 52' ' ' GLU . 59.6 t80 -56.04 137.19 51.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -115.28 -74.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.59 169.32 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.472 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -105.82 125.05 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.479 ' HG ' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -72.93 63.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -79.89 -46.14 17.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.457 ' O ' HG21 ' A' ' 31' ' ' ILE . 33.5 tp60 -45.97 145.1 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -111.88 -30.45 7.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.3 1.73 43.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.81 177.38 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.71 ' CD2' HG22 ' A' ' 30' ' ' THR . 2.2 mt -139.95 152.26 46.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 71' ' ' LEU . 1.1 mt -66.15 111.82 3.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.404 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 140.88 -56.28 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.43 -26.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.463 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 71.7 m-85 -86.74 167.92 20.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.682 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.0 56.98 4.42 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.728 HG23 HD11 ' A' ' 53' ' ' LEU . 4.9 p -103.48 179.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.684 ' H ' HG22 ' A' ' 76' ' ' VAL . 16.4 t0 -175.02 162.14 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.95 90.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.77 -15.46 2.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.19 -170.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -136.7 138.15 40.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.748 ' HB ' HD13 ' A' ' 12' ' ' ILE . 6.4 mm -118.27 99.85 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -82.43 131.84 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.589 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.47 HG22 ' CD2' ' A' ' 51' ' ' LEU . 69.6 t -109.95 119.33 58.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.47 HD12 ' HB3' ' A' ' 50' ' ' GLU . 47.5 mt -87.53 102.64 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 1.009 ' OD1' HD11 ' A' ' 16' ' ' LEU . 29.5 t70 -54.44 104.52 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.619 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.632 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -130.43 123.76 56.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.796 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' ASP . 11.5 mtm -75.08 109.45 8.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.53 147.23 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -92.45 103.05 15.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.798 HD13 ' HB ' ' A' ' 82' ' ' ILE . 8.5 mm -84.25 151.63 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.1 p -155.56 166.3 33.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.3 p -154.78 154.48 32.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.21 -26.62 66.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -57.76 11.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -96.94 120.7 37.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.16 60.93 2.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -166.57 176.72 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.47 143.79 43.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -110.69 165.81 11.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -123.07 98.77 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -121.78 174.88 6.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 4.6 ttt180 -135.92 143.65 45.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.41 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 57.8 m-85 -150.46 134.91 17.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 16.4 t -66.36 133.89 51.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.632 ' HG2' HG21 ' A' ' 8' ' ' VAL . 5.6 mtt180 -53.02 -18.94 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.6 m -71.54 -37.68 71.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 29' ' ' LEU . 8.8 mt -43.28 111.53 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.905 HG22 ' CD2' ' A' ' 70' ' ' LEU . 59.8 p -65.11 137.55 57.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' A' ' 30' ' ' THR . 40.8 mm -34.23 -43.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.676 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -62.58 -58.54 7.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' THR . 5.5 mm-40 -56.51 -43.32 79.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.659 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -48.19 -48.36 34.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.825 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -59.96 -47.92 83.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 1.8 t -46.32 -35.35 5.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.331 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -72.84 -48.15 40.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 34' ' ' PHE . 42.3 mt -58.95 -36.78 75.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.746 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 27.7 mt-10 -39.38 -39.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.586 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -81.24 -42.11 21.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' LEU . 97.2 t -50.08 -54.71 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.42 -18.91 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 75.87 10.83 84.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -107.54 173.87 2.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.966 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.06 142.12 27.28 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.788 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.825 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -82.77 -15.26 52.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.89 3.9 27.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.3 m -124.48 -62.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.312 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.472 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 5.9 ptp -49.99 152.34 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.409 ' O ' HD23 ' A' ' 51' ' ' LEU . 1.8 tp10 -113.94 166.09 11.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.573 HD21 HD12 ' A' ' 38' ' ' LEU . 36.8 mt -118.27 145.25 45.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -139.41 143.11 37.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.488 HD13 ' CG2' ' A' ' 76' ' ' VAL . 14.0 tp -114.44 103.22 10.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -93.78 149.55 21.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.424 ' HA3' ' CG ' ' A' ' 59' ' ' LYS . . . -79.97 -137.13 1.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.52 -73.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' ASP . 4.3 m-20 -73.77 57.36 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' ASP . 17.2 t70 37.67 72.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.424 ' CG ' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -123.81 105.33 9.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -58.78 135.63 57.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -109.27 -79.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.34 167.23 18.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.04 136.6 38.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.458 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -88.86 70.53 8.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -95.64 -50.3 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.923 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 27.7 tp60 -40.25 103.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.676 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 1.7 mt-10 -73.01 -41.17 64.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.93 -12.48 37.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.923 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -82.65 156.28 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.905 ' CD2' HG22 ' A' ' 30' ' ' THR . 15.6 mt -113.01 143.47 44.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -61.69 101.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.15 -47.93 0.54 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.87 -27.12 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 0.791 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -80.88 166.86 36.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.98 4.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.488 ' CG2' HD13 ' A' ' 53' ' ' LEU . 9.9 p -125.44 166.8 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -174.36 170.44 3.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 9' ' ' MET . 5.7 p-10 -60.03 101.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.88 -24.88 2.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.1 m -67.92 -172.83 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 81' ' ' ARG . 22.7 ttm105 -134.13 144.07 48.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.798 ' HB ' HD13 ' A' ' 12' ' ' ILE . 9.2 mm -120.47 104.29 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -88.69 107.57 19.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.629 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.472 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 95.7 t -85.49 119.34 33.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 57.2 mt -87.79 102.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.19 101.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.54 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.45 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -133.72 122.7 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.344 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.0 mtt -75.98 115.24 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.2 m -115.32 149.55 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -92.33 104.54 16.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.461 HD12 ' CD2' ' A' ' 38' ' ' LEU . 5.8 mm -83.98 147.28 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.35 127.76 6.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.5 p -127.25 148.28 50.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -24.68 67.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.051 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mt -64.82 -49.83 69.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -93.43 132.63 37.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -87.41 52.18 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -170.87 178.47 3.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.51 149.47 23.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.76 127.16 54.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -98.84 97.99 9.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 28.0 mmtt -112.23 -179.46 3.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 3.9 ttt180 -138.6 140.86 39.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 12.2 m-85 -153.04 161.57 42.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 t -91.56 148.46 22.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.45 ' HG2' HG21 ' A' ' 8' ' ' VAL . 8.2 mtm180 -71.63 -4.77 29.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.3 m -94.97 -13.71 25.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 29' ' ' LEU . 8.0 mt -64.59 121.17 13.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.659 HG22 ' CD2' ' A' ' 70' ' ' LEU . 30.2 p -66.97 135.64 54.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.627 HG22 ' HE3' ' A' ' 35' ' ' LYS . 46.8 mm -36.46 -39.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.604 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -62.69 -56.35 18.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' THR . 7.6 mm-40 -59.46 -48.63 80.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -42.25 -50.79 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.719 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 11.9 mttm -60.56 -46.94 88.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.401 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -44.1 -33.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 108.31 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -73.24 -46.74 48.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.509 ' O ' HG22 ' A' ' 42' ' ' VAL . 20.2 mt -59.02 -32.05 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.603 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 59.2 mt-10 -48.7 -28.15 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -93.41 -25.38 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' LEU . 24.3 t -73.38 -58.8 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.0 m -81.06 -32.28 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 90.95 2.6 71.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -101.91 172.24 4.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.003 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.61 21.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.719 ' HB1' ' CB ' ' A' ' 35' ' ' LYS . . . -73.39 -20.43 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.34 4.41 17.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 79.4 m -125.84 -62.35 1.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 108.33 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.485 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 5.6 ptp -50.06 143.37 8.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.699 ' C ' HD23 ' A' ' 51' ' ' LEU . 2.8 tp10 -110.96 154.56 23.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.699 HD23 ' C ' ' A' ' 50' ' ' GLU . 8.5 mt -116.23 155.47 28.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 17.5 mt-10 -147.38 146.0 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.022 HD13 HG23 ' A' ' 76' ' ' VAL . 12.6 tp -106.5 102.43 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 52.3 m-85 -98.83 150.85 21.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . -59.67 -119.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.11 -69.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 1.4 m-20 -60.76 -48.07 83.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 1.5 m-20 156.66 70.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.2 mttt -124.75 101.11 6.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 18.9 t80 -58.6 141.84 51.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' LEU . 3.9 m-30 -115.5 -82.58 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.1 m -122.96 164.04 19.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HG2' ' CZ ' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -100.91 134.67 43.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.5 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -85.83 50.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -42.67 68.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.571 ' HB3' ' HB2' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -56.7 118.8 5.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.604 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 3.3 pt-20 -86.59 -36.61 18.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.433 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 50.7 t0 -69.28 -8.25 44.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.571 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -76.27 173.9 10.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.659 ' CD2' HG22 ' A' ' 30' ' ' THR . 5.0 mt -134.47 153.11 52.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.439 ' CD2' HG11 ' A' ' 76' ' ' VAL . 1.5 mt -68.38 101.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.85 -48.65 0.53 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.97 -23.94 14.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -89.45 166.16 22.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.781 ' O ' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 54.34 3.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.516 1.798 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.022 HG23 HD13 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -118.57 174.22 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.44 ' H ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER 178.95 167.74 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' HB3' HG12 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -59.83 100.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.27 -17.24 3.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.8 m -65.81 -173.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -133.95 134.34 42.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.461 ' HB ' HD13 ' A' ' 12' ' ' ILE . 30.5 mm -115.82 102.54 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -82.66 112.14 19.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.597 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.485 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 38.6 t -87.79 94.88 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.6 mt -68.75 102.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.38 100.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.619 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.563 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -145.44 127.06 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -73.27 101.52 3.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.6 m -117.21 143.6 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -92.54 104.56 16.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.91 HD13 ' HB ' ' A' ' 82' ' ' ILE . 8.2 mm -84.34 148.01 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 p -153.74 167.06 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.449 ' CB ' HG12 ' A' ' 42' ' ' VAL . 23.3 p -161.93 159.04 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 t -72.7 -17.96 61.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.689 HD11 ' OD1' ' A' ' 86' ' ' ASP . 1.4 mt -71.96 -54.09 11.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -84.12 -29.25 26.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER 76.1 -60.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.6 169.44 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.05 146.77 24.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -113.96 167.89 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -122.87 100.1 6.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -128.4 173.3 10.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.519 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -133.6 152.89 51.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.331 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 26.1 m-85 -155.52 151.39 27.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' LEU . 22.9 t -82.29 122.89 28.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.563 ' HG2' HG21 ' A' ' 8' ' ' VAL . 7.2 mtt180 -43.83 -25.99 0.23 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 26' ' ' SER . 15.6 m -64.36 -40.59 96.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' SER . 9.6 mt -40.02 121.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.611 HG22 ' CD2' ' A' ' 70' ' ' LEU . 66.6 p -73.5 138.78 45.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' THR . 31.5 mm -35.62 -44.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -60.51 -56.51 20.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.088 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -59.98 -48.04 83.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CE2' HD11 ' A' ' 71' ' ' LEU . 1.4 t80 -43.06 -48.39 6.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -61.93 -48.5 80.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' LYS . 1.3 t -40.97 -35.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 108.307 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -73.61 -51.2 17.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.932 ' CD1' HD21 ' A' ' 51' ' ' LEU . 34.3 mt -51.14 -32.15 22.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.499 ' OE2' ' CB ' ' A' ' 46' ' ' ALA . 80.5 mt-10 -48.39 -27.58 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.702 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -92.52 -26.94 17.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' LEU . 55.5 t -70.12 -45.56 75.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -95.01 -32.89 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 90.36 22.14 35.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -125.32 171.36 7.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.35 22.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.499 ' CB ' ' OE2' ' A' ' 39' ' ' GLU . . . -63.12 -19.13 64.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -5.56 58.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' HIS . 76.4 m -127.66 30.65 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.422 ' HE2' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -148.51 137.25 21.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 111.03 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -105.68 173.02 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.932 HD21 ' CD1' ' A' ' 38' ' ' LEU . 92.9 mt -124.43 165.84 17.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 21.7 mt-10 -158.38 137.53 11.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.566 HD13 ' CG2' ' A' ' 76' ' ' VAL . 15.7 tp -111.02 103.46 11.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.455 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 64.1 m-85 -100.32 137.42 38.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.05 -140.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.8 -73.63 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 58' ' ' ASP . 6.6 t0 -74.48 58.0 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.451 ' OD1' ' CD2' ' A' ' 54' ' ' TYR . 21.9 t0 39.41 76.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -128.61 98.51 5.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -50.07 138.21 16.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -116.3 -72.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 m -135.19 173.7 11.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.97 127.97 54.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.503 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -84.36 68.76 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.66 -46.5 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.455 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 3.8 tp-100 -43.81 108.97 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.538 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -73.87 -35.67 64.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.06 -11.85 60.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -80.6 150.77 29.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.611 ' CD2' HG22 ' A' ' 30' ' ' THR . 55.6 mt -109.48 132.63 53.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -53.22 101.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.86 -51.53 0.47 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 p -45.73 -28.18 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.018 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.49 ' CD2' HD12 ' A' ' 64' ' ' LEU . 49.0 m-85 -79.13 165.53 48.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.413 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.95 56.03 4.1 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.566 ' CG2' HD13 ' A' ' 53' ' ' LEU . 7.4 p -121.11 163.83 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.64 169.11 6.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 9' ' ' MET . 5.5 p-10 -56.59 104.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 134.16 -20.28 4.02 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.432 ' CB ' HG23 ' A' ' 76' ' ' VAL . 1.3 m -64.74 -171.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -135.64 138.85 43.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.91 ' HB ' HD13 ' A' ' 12' ' ' ILE . 21.7 mm -119.61 99.75 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -86.38 120.14 27.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.609 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.486 HG22 HD13 ' A' ' 38' ' ' LEU . 98.8 t -95.43 108.18 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.1 mt -79.55 102.6 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.689 ' OD1' HD11 ' A' ' 16' ' ' LEU . 31.3 t70 -54.58 104.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.2 m-70 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.615 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.627 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -128.78 128.04 67.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.0 mtm -79.63 120.2 23.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.82 150.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -91.92 103.79 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.808 HD13 ' HB ' ' A' ' 82' ' ' ILE . 6.3 mm -83.88 135.45 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.84 170.51 13.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 p -167.72 129.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.039 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.93 -22.95 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 86' ' ' ASP . 1.1 mt -67.24 -58.69 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -72.11 154.57 41.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -55.85 4.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.044 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -96.56 -176.66 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -95.79 164.76 12.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -116.33 166.6 11.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -123.15 98.59 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -120.42 175.13 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -138.45 144.63 40.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -147.06 157.46 43.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -82.74 147.21 28.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.627 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.7 mtt180 -72.28 -3.67 25.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.92 -9.99 23.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.0 mt -67.65 111.13 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.866 HG22 ' CD2' ' A' ' 70' ' ' LEU . 72.8 p -59.18 133.72 56.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' THR . 39.2 mm -36.2 -46.1 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -55.95 -54.65 42.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.2 mm-40 -59.03 -53.24 60.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.79 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.5 t80 -41.64 -47.92 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.845 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -58.56 -40.31 82.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -53.65 -33.95 56.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 108.288 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 8.5 mptt -74.54 -38.23 62.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.79 HD21 ' CE1' ' A' ' 34' ' ' PHE . 15.4 mt -68.77 -32.0 71.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.805 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 29.4 mt-10 -41.66 -35.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.1 mt -88.89 -44.61 10.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -46.07 -38.24 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -111.13 -15.39 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 70.05 20.66 76.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.962 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -115.73 173.95 2.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 0.0 109.986 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.06 130.87 13.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.797 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.845 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -75.77 -14.52 60.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.67 2.86 35.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 m -124.31 -63.11 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.473 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.4 ptp -46.6 149.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -109.87 162.74 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.776 HD21 HD12 ' A' ' 38' ' ' LEU . 35.5 mt -116.85 146.91 42.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -138.95 130.65 27.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.719 ' HB2' HD21 ' A' ' 64' ' ' LEU . 15.8 tp -106.12 102.14 11.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -97.3 146.93 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.14 -131.88 0.09 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.76 -71.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ASP . 10.5 t0 -73.35 58.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER 38.06 61.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.03 110.58 19.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -58.84 133.51 56.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -112.26 -72.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.09 169.97 16.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' C ' HD13 ' A' ' 64' ' ' LEU . 3.1 mmtp -105.3 135.9 45.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.719 HD21 ' HB2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -90.81 64.4 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.36 -43.83 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.84 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 6.2 tp60 -46.97 113.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.559 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -77.39 -36.47 53.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -8.31 53.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.84 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -80.19 172.05 14.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.866 ' CD2' HG22 ' A' ' 30' ' ' THR . 3.3 mt -141.04 149.03 41.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 71' ' ' LEU . 1.4 mt -59.55 113.8 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.412 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 136.76 -56.25 0.69 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.8 -26.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.448 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 39.7 m-85 -88.4 168.5 16.05 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.03 55.4 3.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.653 HG22 ' H ' ' A' ' 77' ' ' ASP . 5.9 p -103.15 176.42 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.653 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.3 p30 -178.57 144.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -51.05 97.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.72 -13.73 3.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.9 -169.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -137.07 133.05 34.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.228 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.808 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.6 mm -113.54 102.2 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -90.25 111.0 22.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.473 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 63.8 t -88.35 120.35 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 72.7 mt -91.88 102.77 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.475 ' HB2' HD11 ' A' ' 16' ' ' LEU . 1.2 t70 -58.98 106.63 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.607 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.74 134.0 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.2 mtp -91.34 111.47 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m -118.73 147.78 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -92.11 102.53 15.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.776 HD13 ' HB ' ' A' ' 82' ' ' ILE . 9.1 mm -84.33 149.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.6 t -149.09 -176.34 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.463 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 57.2 p -173.24 160.07 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.77 -10.98 59.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 86' ' ' ASP . 1.5 mt -79.16 -56.31 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 18' ' ' SER . 1.5 m-80 -83.91 -31.24 25.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER 78.58 -60.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.998 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -60.59 157.01 15.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -85.95 148.26 25.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -114.85 172.11 7.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.036 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.46 98.97 6.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.505 ' HE3' HG22 ' A' ' 41' ' ' VAL . 4.3 mmtt -123.09 172.81 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -138.86 145.06 39.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.528 ' OH ' HG21 ' A' ' 41' ' ' VAL . 42.6 m-85 -153.24 143.74 22.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.062 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.8 t -66.98 146.95 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 5.5 mtt180 -73.79 -2.56 24.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.9 m -100.62 -1.33 35.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 29' ' ' LEU . 6.8 mt -75.26 112.67 11.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.806 HG22 ' CD2' ' A' ' 70' ' ' LEU . 81.5 p -56.39 132.61 51.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.374 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.601 HD12 ' HB3' ' A' ' 64' ' ' LEU . 37.6 mm -36.89 -43.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.637 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -60.63 -54.11 49.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.6 mm-40 -60.83 -43.67 97.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.69 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.8 t80 -49.39 -46.93 48.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.589 ' NZ ' HG22 ' A' ' 31' ' ' ILE . 20.8 mttt -63.63 -44.44 93.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.98 -27.58 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -80.36 -49.07 12.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.69 HD21 ' CE1' ' A' ' 34' ' ' PHE . 14.3 mt -56.74 -27.57 59.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.47 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 28.4 mt-10 -42.27 -32.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -92.22 -35.3 13.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.528 HG21 ' OH ' ' A' ' 25' ' ' TYR . 89.0 t -56.78 -36.36 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 14' ' ' SER . 0.2 OUTLIER -112.51 -12.88 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 68.64 16.17 69.52 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.949 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -109.48 162.04 21.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 130.94 13.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . . . -63.62 -12.99 37.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.71 1.56 51.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' HIS . 82.2 m -145.24 37.62 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.453 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -147.25 134.25 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -106.7 156.07 19.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.486 HD11 ' HG2' ' A' ' 35' ' ' LYS . 14.9 mt -110.29 153.4 24.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 8.6 mt-10 -141.39 135.45 30.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.514 ' CD1' HG23 ' A' ' 76' ' ' VAL . 61.7 tp -106.79 136.36 46.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 83' ' ' HIS . 22.6 m-85 -125.19 153.9 42.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.511 ' HA3' ' CE1' ' A' ' 61' ' ' TYR . . . -73.15 -119.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.084 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.31 -69.49 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' ASP . 8.3 t70 -73.68 57.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASP . 25.9 t0 38.2 67.18 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -121.87 111.54 17.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -51.37 121.53 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.511 ' CE1' ' HA3' ' A' ' 55' ' ' GLY . 2.6 m-30 -99.37 -53.29 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.6 m -165.56 179.28 6.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.431 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -111.99 136.39 51.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.601 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -85.07 49.29 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -54.38 43.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -43.41 118.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.637 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 3.4 pt-20 -87.09 -36.13 18.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 4.3 m-20 -69.12 -18.74 64.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -67.1 171.16 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.806 ' CD2' HG22 ' A' ' 30' ' ' THR . 1.4 mt -133.35 157.54 45.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.7 mt -71.19 101.36 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 151.4 -42.26 0.73 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.86 -20.32 66.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -90.36 167.14 17.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.501 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 54.48 3.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.514 HG23 ' CD1' ' A' ' 53' ' ' LEU . 9.8 p -119.1 167.43 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.408 ' H ' HG22 ' A' ' 76' ' ' VAL . 10.1 p30 -171.58 158.35 5.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.43 96.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.38 -17.92 2.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.2 m -68.55 -170.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -132.41 145.06 50.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.776 ' HB ' HD13 ' A' ' 12' ' ' ILE . 5.8 mm -125.32 119.34 55.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 40.2 t60 -105.28 118.48 36.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.615 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.453 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 84.7 t -93.54 126.1 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 88.9 mt -95.92 102.76 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.527 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -60.59 101.09 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.655 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.452 HG21 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -135.61 130.58 50.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 0.745 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.6 mtt -83.17 119.06 24.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.6 m -126.7 148.22 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -92.1 103.39 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.781 HD13 ' HB ' ' A' ' 82' ' ' ILE . 5.5 mm -85.08 145.34 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 t -141.05 -178.02 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.7 p -173.84 132.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.413 ' CB ' ' OD1' ' A' ' 86' ' ' ASP . 0.3 OUTLIER -57.86 -24.4 57.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.57 -49.33 77.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -105.61 124.31 49.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.36 62.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 t80 179.53 160.07 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.12 155.28 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -115.03 169.43 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.939 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -122.92 98.83 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.621 ' HE3' HG22 ' A' ' 41' ' ' VAL . 7.5 mmtt -125.66 179.39 5.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 3.4 ttp180 -138.56 146.49 41.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 53.8 m-85 -149.93 141.73 23.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -66.68 145.8 55.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.955 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.452 ' CG ' HG21 ' A' ' 8' ' ' VAL . 2.7 mtm105 -73.19 -2.78 23.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.48 0.37 47.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 109.982 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.6 mt -77.2 113.19 14.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.916 HG22 ' CD2' ' A' ' 70' ' ' LEU . 81.3 p -59.75 134.7 57.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.357 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.589 HG21 ' O ' ' A' ' 66' ' ' GLN . 42.7 mm -38.07 -38.33 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -64.93 -53.99 37.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.4 mm-40 -62.73 -43.91 97.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.495 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.6 t80 -46.99 -47.28 21.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.76 ' CG ' HD11 ' A' ' 51' ' ' LEU . 35.8 mttt -62.93 -50.82 69.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.53 -32.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -73.49 -47.95 37.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.665 HD12 ' CD2' ' A' ' 51' ' ' LEU . 8.7 mt -61.08 -34.79 75.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.498 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 62.9 mt-10 -38.37 -30.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' LEU . 11.6 mt -89.83 -47.84 7.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.621 HG22 ' HE3' ' A' ' 23' ' ' LYS . 93.7 t -47.69 -31.97 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -110.47 -32.06 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 85.89 25.72 37.04 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -125.83 168.49 13.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.789 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.56 23.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.793 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.489 ' HB1' ' CB ' ' A' ' 35' ' ' LYS . . . -67.62 -9.97 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.61 -5.59 55.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' HIS . 59.1 m -128.19 27.78 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.298 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.07 142.17 26.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -113.26 162.76 15.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.76 HD11 ' CG ' ' A' ' 35' ' ' LYS . 46.5 mt -122.52 139.45 53.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.373 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -122.72 142.55 50.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.636 ' CD1' HG23 ' A' ' 76' ' ' VAL . 48.9 tp -113.52 107.97 16.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -101.91 152.58 20.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.9 -132.13 0.38 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.84 -71.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -74.42 57.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER 38.81 61.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -117.07 111.0 18.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -53.37 138.11 33.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -114.88 -69.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.8 m -146.1 176.28 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.992 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.9 140.75 48.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.605 HD12 ' CE2' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -88.21 56.58 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.83 -40.29 79.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.589 ' O ' HG21 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -65.65 130.16 42.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.575 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 4.2 pt-20 -92.92 -36.68 12.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.422 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 1.3 m-20 -67.57 -26.39 66.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -53.24 171.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.916 ' CD2' HG22 ' A' ' 30' ' ' THR . 3.7 mt -134.38 148.83 50.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 71' ' ' LEU . 1.1 mt -62.05 114.0 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 137.89 -56.03 0.67 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.88 -25.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 0.736 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.605 ' CE2' HD12 ' A' ' 64' ' ' LEU . 32.6 m-85 -86.85 169.05 15.82 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.05 55.9 4.12 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.658 HG22 ' H ' ' A' ' 77' ' ' ASP . 5.1 p -105.94 177.49 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.658 ' H ' HG22 ' A' ' 76' ' ' VAL . 20.6 m-20 -179.46 157.54 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 5.9 p-10 -59.68 97.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.27 -13.45 3.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.445 1.091 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.83 -172.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 81' ' ' ARG . 15.2 ttm105 -136.83 131.16 32.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.781 ' HB ' HD13 ' A' ' 12' ' ' ILE . 22.2 mm -113.71 99.95 9.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -91.94 128.94 37.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.576 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.471 HG22 ' CD2' ' A' ' 51' ' ' LEU . 37.3 t -95.34 137.95 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.8 mt -106.43 103.03 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.413 ' OD1' ' CB ' ' A' ' 15' ' ' SER . 5.8 p-10 -55.26 101.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.2 m-70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.427 HG21 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -139.13 132.04 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 109.302 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.3 mtt -85.94 118.48 25.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 m -125.64 149.39 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -92.06 103.32 15.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.764 HD13 ' HB ' ' A' ' 82' ' ' ILE . 7.8 mm -84.35 145.52 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.0 t -150.42 -179.31 7.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.404 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 98.3 p -170.76 155.32 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.93 -9.09 58.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.553 HD11 ' OD1' ' A' ' 86' ' ' ASP . 2.9 mt -81.55 -56.59 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -67.14 178.4 1.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.09 -56.64 2.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -104.52 175.65 5.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -83.42 160.22 21.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -114.8 170.56 8.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.977 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -122.59 98.68 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HE3' HG22 ' A' ' 41' ' ' VAL . 6.1 mmtt -123.11 175.16 6.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.537 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 1.4 ttt-85 -138.58 147.05 42.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 39.7 m-85 -152.38 147.58 26.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -73.52 146.23 45.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 71' ' ' LEU . 5.1 mtt180 -73.04 -2.69 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.77 2.61 44.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 29' ' ' LEU . 8.6 mt -80.82 118.4 22.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.652 HG22 ' CD2' ' A' ' 70' ' ' LEU . 29.1 p -64.36 133.39 52.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.632 HG22 ' HE3' ' A' ' 35' ' ' LYS . 24.3 mm -37.87 -38.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.667 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -63.36 -54.25 39.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.8 mm-40 -60.78 -53.52 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.08 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.944 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -38.7 -55.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.632 ' HE3' HG22 ' A' ' 31' ' ' ILE . 46.2 mttt -52.79 -46.08 67.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -46.63 -35.55 6.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.323 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 8.0 mptt -77.5 -40.54 42.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.944 HD21 ' CE1' ' A' ' 34' ' ' PHE . 23.4 mt -65.65 -27.91 68.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.515 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 48.7 mt-10 -44.5 -36.3 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -82.32 -38.84 23.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG22 ' HE3' ' A' ' 23' ' ' LYS . 95.8 t -55.5 -44.62 76.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -102.09 -7.57 9.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 60.24 25.02 61.88 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -122.98 168.48 11.98 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 109.952 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 133.85 16.95 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.527 1.804 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -64.5 -12.72 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.0 5.59 48.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.972 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' HIS . 35.4 m -139.74 30.11 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 108.274 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.445 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -150.66 134.34 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -102.29 171.43 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.752 HD21 ' CD1' ' A' ' 38' ' ' LEU . 82.0 mt -123.41 165.81 16.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -153.73 149.83 27.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.637 HD13 ' CG2' ' A' ' 76' ' ' VAL . 15.9 tp -116.32 101.93 9.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.56 ' CE2' ' NH2' ' A' ' 81' ' ' ARG . 8.2 m-85 -94.6 143.8 26.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' HA3' ' CG ' ' A' ' 59' ' ' LYS . . . -74.47 -132.71 0.26 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.36 -72.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -75.08 57.77 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER 39.67 65.89 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.448 ' CG ' ' HA3' ' A' ' 55' ' ' GLY . 1.6 ptmt -119.06 102.65 8.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 2.5 t80 -55.61 139.17 45.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 53' ' ' LEU . 2.4 m-30 -117.74 -54.93 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.52 177.72 9.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.431 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -118.94 128.82 54.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.607 HD12 ' CE2' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -85.61 74.52 10.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.84 -44.04 4.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.31 117.86 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.241 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.667 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -76.12 -40.62 52.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -17.42 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.04 168.68 18.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.652 ' CD2' HG22 ' A' ' 30' ' ' THR . 1.8 mt -139.82 145.62 38.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.481 ' HA ' HD23 ' A' ' 71' ' ' LEU . 1.5 mt -55.18 117.86 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 131.03 -53.17 0.81 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.76 -27.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 0.78 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CE2' HD12 ' A' ' 64' ' ' LEU . 40.3 m-85 -85.62 166.54 29.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.431 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -74.99 55.51 3.97 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.637 ' CG2' HD13 ' A' ' 53' ' ' LEU . 9.9 p -121.11 169.5 12.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.481 ' H ' HG22 ' A' ' 76' ' ' VAL . 3.7 m-20 -167.42 165.45 14.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.9 OUTLIER -61.17 101.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 141.46 -21.78 2.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.14 -172.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.56 ' NH2' ' CE2' ' A' ' 54' ' ' TYR . 32.1 ttp180 -131.81 138.6 48.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.764 ' HB ' HD13 ' A' ' 12' ' ' ILE . 4.4 mm -112.03 99.87 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -82.84 116.98 22.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.569 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.479 HG22 HD23 ' A' ' 51' ' ' LEU . 77.2 t -93.21 125.63 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 72.9 mt -95.81 102.78 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.553 ' OD1' HD11 ' A' ' 16' ' ' LEU . 36.9 t70 -60.06 106.65 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' CYS . 18.1 m-70 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.449 ' CG2' ' HG3' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -134.06 130.6 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.1 mtp -93.8 110.37 22.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 m -114.3 150.79 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -92.26 102.84 15.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.799 HD13 ' HB ' ' A' ' 82' ' ' ILE . 3.9 mm -84.09 140.42 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.5 p -150.16 165.63 32.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.472 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 22.5 p -155.07 150.82 27.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -58.03 -24.62 59.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.51 -55.42 27.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -100.68 116.56 32.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.87 70.68 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -177.18 -178.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 3.8 mpt_? -123.76 135.48 53.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -101.07 169.24 9.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -122.55 98.55 5.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -120.94 173.85 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -136.65 145.71 45.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.441 ' CE1' ' HB3' ' A' ' 37' ' ' LYS . 72.7 m-85 -154.52 151.26 28.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.8 t -71.71 144.56 49.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.449 ' HG3' ' CG2' ' A' ' 8' ' ' VAL . 13.8 mtm180 -72.89 -4.61 32.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.13 -7.32 45.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.581 HD13 ' HD3' ' A' ' 37' ' ' LYS . 9.0 mt -70.95 120.69 16.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.796 HG22 ' CD2' ' A' ' 70' ' ' LEU . 14.0 p -70.75 136.43 48.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.593 HG22 ' HE3' ' A' ' 35' ' ' LYS . 12.7 mm -36.0 -46.76 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -54.5 -54.55 39.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.5 mm-40 -62.3 -52.31 64.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.593 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.7 t80 -42.7 -51.22 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.813 ' CG ' HD11 ' A' ' 51' ' ' LEU . 25.7 mttt -54.01 -36.54 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -59.31 -34.83 72.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 108.316 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.581 ' HD3' HD13 ' A' ' 29' ' ' LEU . 2.9 mptt -71.86 -33.7 68.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.593 HD21 ' CE1' ' A' ' 34' ' ' PHE . 19.1 mt -70.95 -28.36 64.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.667 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 37.4 mt-10 -50.6 -27.93 7.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -93.07 -30.21 15.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 37' ' ' LYS . 47.0 t -66.16 -51.6 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 38' ' ' LEU . 1.6 m -92.0 -17.05 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.34 3.64 66.52 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -101.85 172.09 4.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.2 22.64 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.545 1.813 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.667 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . . . -75.39 -1.23 22.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.09 4.6 44.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 87' ' ' HIS . 69.4 m -141.48 26.43 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 49' ' ' MET . 0.4 OUTLIER -142.78 128.18 18.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.14 159.91 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.813 HD11 ' CG ' ' A' ' 35' ' ' LYS . 17.2 mt -111.39 166.08 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.529 ' O ' HD13 ' A' ' 82' ' ' ILE . 27.9 mt-10 -153.3 150.0 28.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.515 ' HB2' HD21 ' A' ' 64' ' ' LEU . 46.2 tp -123.89 126.92 47.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -116.41 154.47 30.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . -62.7 -131.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.7 -71.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 12.5 t70 -49.01 -54.61 14.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER 154.82 45.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -106.97 114.36 28.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -50.36 137.44 18.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.473 ' CE2' ' HA2' ' A' ' 55' ' ' GLY . 4.3 m-30 -114.16 -72.49 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 53' ' ' LEU . 3.7 m -143.28 172.87 12.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -110.41 135.85 50.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -88.73 74.08 8.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.5 -41.55 6.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.471 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -50.08 110.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 13.2 mt-10 -74.22 -25.59 59.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.0 0.04 46.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -92.23 160.49 15.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.796 ' CD2' HG22 ' A' ' 30' ' ' THR . 9.4 mt -126.29 147.42 49.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 71' ' ' LEU . 1.3 mt -60.05 112.72 1.99 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 138.9 -56.95 0.63 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.63 -26.16 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.469 ' CD2' HD12 ' A' ' 64' ' ' LEU . 36.5 m-85 -87.16 168.49 17.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.97 55.23 3.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.561 HG22 ' H ' ' A' ' 77' ' ' ASP . 6.3 p -102.78 172.33 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.561 ' H ' HG22 ' A' ' 76' ' ' VAL . 7.1 p-10 -177.86 147.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -49.42 101.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 132.75 -7.93 5.22 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.0 p -58.22 -162.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -152.29 113.55 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.799 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.9 mm -94.16 107.24 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -91.73 102.21 14.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.616 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.448 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 91.6 t -78.29 120.95 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.404 HD11 ' CD ' ' A' ' 52' ' ' GLU . 58.4 mt -93.35 102.86 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.7 104.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.609 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.427 ' CG2' ' HG3' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -143.62 134.58 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' GLY . 2.0 mtp -93.55 118.12 30.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.69 151.88 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -92.01 102.53 15.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.915 HD13 ' HB ' ' A' ' 82' ' ' ILE . 4.9 mm -84.17 131.52 33.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 0.0 109.352 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 p -130.13 175.73 8.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.448 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 52.4 p -159.61 143.47 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -17.08 64.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.844 HD11 ' OD1' ' A' ' 86' ' ' ASP . 2.6 mt -75.22 -58.75 3.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -87.05 119.8 27.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.2 m -74.3 64.09 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 t80 178.85 160.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -102.66 149.16 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -112.12 168.82 9.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -123.0 98.94 6.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HE3' HG22 ' A' ' 41' ' ' VAL . 3.6 mmtt -123.9 175.82 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -138.53 145.21 40.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.468 ' OH ' HG21 ' A' ' 41' ' ' VAL . 30.4 m-85 -147.0 148.71 31.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 t -70.51 144.97 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 71' ' ' LEU . 9.7 mtt180 -75.46 -0.48 20.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.36 2.72 31.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.5 mt -77.8 122.86 25.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.59 HG22 ' CD2' ' A' ' 70' ' ' LEU . 40.1 p -64.55 129.03 38.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.616 HG21 ' O ' ' A' ' 66' ' ' GLN . 47.1 mm -35.67 -40.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -62.05 -56.87 14.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.2 mm-40 -57.79 -45.98 85.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 1.006 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.6 t80 -47.92 -51.49 23.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.641 ' CG ' HD11 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -55.47 -37.17 67.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.32 -30.36 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -75.64 -31.5 59.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.006 HD21 ' CE1' ' A' ' 34' ' ' PHE . 15.0 mt -76.96 -27.11 54.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.632 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 34.0 mt-10 -45.81 -35.92 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.07 -30.01 20.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.512 HG11 HG21 ' A' ' 12' ' ' ILE . 85.1 t -60.29 -41.9 88.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -106.92 -18.83 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 80.08 2.76 89.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -99.14 165.72 14.33 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 109.97 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.62 16.75 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.632 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . . . -68.41 -21.19 64.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 59.7 p -77.91 0.56 23.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' HIS . 66.3 m -140.11 29.49 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.444 ' SD ' HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -146.42 127.9 15.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.979 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.23 173.45 7.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.763 HD21 HD12 ' A' ' 38' ' ' LEU . 85.1 mt -125.23 152.99 43.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.425 ' O ' HD13 ' A' ' 82' ' ' ILE . 2.0 mt-10 -137.81 145.16 41.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.5 tp -119.49 111.99 18.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -106.62 151.51 24.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.49 -133.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.66 -71.83 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -55.71 -50.74 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 1.6 p30 155.02 47.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -98.81 115.33 28.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.9 128.09 35.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -106.72 -61.93 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.59 171.72 17.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.43 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -114.7 128.04 56.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.605 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -69.2 65.56 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 63' ' ' LYS . 2.4 t70 -73.04 -53.55 10.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.616 ' O ' HG21 ' A' ' 31' ' ' ILE . 7.3 tp60 -45.13 138.14 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 14.9 mt-10 -98.55 -38.78 9.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -11.39 60.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -66.59 168.9 8.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.59 ' CD2' HG22 ' A' ' 30' ' ' THR . 5.6 mt -132.28 150.31 52.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 27' ' ' ARG . 1.6 mt -67.55 101.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.7 -42.59 0.67 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.105 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -16.25 25.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.553 ' CE2' HD12 ' A' ' 64' ' ' LEU . 53.4 m-85 -98.97 165.31 15.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 57.4 4.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 111.042 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.441 HG23 ' SG ' ' A' ' 80' ' ' CYS . 9.3 p -109.29 154.26 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -150.26 165.08 34.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.78 98.28 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 136.41 -9.82 4.07 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' A' ' 76' ' ' VAL . 11.8 p -57.34 -165.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 81' ' ' ARG . 22.3 ttm105 -143.64 111.12 5.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.915 ' HB ' HD13 ' A' ' 12' ' ' ILE . 6.4 mm -98.05 105.32 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -92.58 126.25 37.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.635 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.444 HG13 ' SD ' ' A' ' 49' ' ' MET . 20.0 t -90.83 120.3 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.3 mt -88.67 102.73 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.844 ' OD1' HD11 ' A' ' 16' ' ' LEU . 11.6 t0 -58.8 100.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.5 m-70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.592 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.442 ' CG2' ' HG3' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -145.59 139.63 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.1 ttm -92.72 122.93 35.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.639 HG12 ' SG ' ' A' ' 80' ' ' CYS . 32.7 m -130.22 143.07 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -91.87 104.28 16.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.546 HG21 HG11 ' A' ' 41' ' ' VAL . 19.8 mm -84.16 135.5 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.6 p -146.67 144.08 29.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.99 158.51 43.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.64 19.1 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 86' ' ' ASP . 6.7 mt -93.01 -65.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -101.6 133.66 45.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -71.0 74.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -174.32 160.11 3.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -99.27 163.53 12.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -126.29 127.83 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.046 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -110.67 99.05 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -126.65 -179.42 4.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -136.83 143.16 42.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -138.82 -178.74 5.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.593 ' H ' HD12 ' A' ' 29' ' ' LEU . 23.3 t -105.32 145.69 30.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.442 ' HG3' ' CG2' ' A' ' 8' ' ' VAL . 30.9 mtm180 -75.35 -4.45 39.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.1 m -102.85 4.18 37.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.593 HD12 ' H ' ' A' ' 26' ' ' SER . 6.5 mt -80.0 124.56 28.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.569 ' HA ' HD23 ' A' ' 70' ' ' LEU . 63.1 p -65.61 128.82 37.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.814 HG22 ' HE3' ' A' ' 35' ' ' LYS . 48.0 mm -35.2 -43.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -57.64 -57.47 12.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.8 mm-40 -56.76 -53.16 60.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -40.73 -45.8 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.814 ' HE3' HG22 ' A' ' 31' ' ' ILE . 20.2 mttt -60.9 -45.75 93.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.4 t -48.97 -36.82 18.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.268 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.449 ' NZ ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.56 -38.47 77.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.475 ' O ' HG22 ' A' ' 42' ' ' VAL . 40.1 mt -67.11 -37.96 84.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.731 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 34.0 mt-10 -39.19 -34.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.5 mt -88.52 -41.83 12.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.546 HG11 HG21 ' A' ' 12' ' ' ILE . 90.8 t -49.88 -40.93 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -103.77 -32.42 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 90.75 15.26 56.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.443 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -114.5 175.11 2.0 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.974 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.04 138.11 22.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.451 1.764 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.806 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -78.96 -20.02 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.85 5.58 18.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.6 m -123.66 -58.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.312 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.569 ' SD ' HG13 ' A' ' 84' ' ' VAL . 7.6 ptp -55.05 149.31 12.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.496 ' C ' HD23 ' A' ' 51' ' ' LEU . 6.6 tp10 -108.51 157.06 18.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.748 HD11 ' CG ' ' A' ' 35' ' ' LYS . 6.4 mt -107.52 157.74 17.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 21.5 mt-10 -153.16 138.3 17.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 76' ' ' VAL . 59.6 tp -112.25 111.45 22.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 68.2 m-85 -106.26 144.31 33.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.927 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.36 -122.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.65 -70.26 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 0.777 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ASP . 61.4 t0 -73.73 58.07 0.61 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 7.2 t0 38.34 55.45 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -108.74 112.73 25.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -58.94 135.71 57.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -111.11 -70.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.0 t -142.43 177.15 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.96 129.8 55.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.513 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -82.6 61.41 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.63 -50.5 6.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.885 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 2.9 tp-100 -41.33 107.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 2.2 mt-10 -76.05 -27.43 57.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.39 6.12 24.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.885 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -93.89 166.95 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 30' ' ' THR . 8.2 mt -129.84 151.85 49.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 71' ' ' LEU . 1.2 mt -64.61 109.78 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 142.75 -56.68 0.57 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.0 -25.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.441 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 31.8 m-85 -86.16 169.4 15.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.02 55.23 3.89 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.538 HG22 ' H ' ' A' ' 77' ' ' ASP . 5.8 p -107.23 171.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.538 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.6 p30 -174.98 144.55 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.1 111.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 80' ' ' CYS . . . 119.58 -5.99 12.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.097 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.639 ' SG ' HG12 ' A' ' 10' ' ' VAL . 9.2 p -55.81 -168.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -148.99 111.42 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.503 ' HB ' HD13 ' A' ' 12' ' ' ILE . 5.2 mm -99.46 116.48 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -96.95 130.04 44.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.569 HG13 ' SD ' ' A' ' 49' ' ' MET . 78.1 t -101.82 112.57 35.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.492 HD12 ' HB3' ' A' ' 50' ' ' GLU . 64.5 mt -82.48 103.03 9.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.43 ' HB3' HD21 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -54.38 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.561 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.512 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -141.09 129.07 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 109.312 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.5 mtt -81.82 114.69 20.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.2 m -122.59 152.59 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -91.81 102.76 15.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.631 HD13 ' HB ' ' A' ' 82' ' ' ILE . 9.7 mm -84.82 130.73 35.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.438 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -131.66 175.76 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.986 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.443 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 1.6 p -170.15 148.2 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -21.83 66.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 86' ' ' ASP . 3.3 mt -67.14 -50.15 62.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -77.84 166.95 22.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 t -92.08 -41.89 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.6 -166.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.438 ' CG ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -99.83 159.81 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.367 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -111.46 168.98 9.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.65 98.48 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -122.32 173.7 7.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.19 147.53 43.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -153.45 142.73 21.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.2 t -69.47 148.44 49.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.512 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.7 mtt180 -73.26 -2.48 22.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.348 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.1 p -100.13 -5.12 28.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 29' ' ' LEU . 6.7 mt -71.4 114.0 9.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.786 HG22 ' CD2' ' A' ' 70' ' ' LEU . 72.4 p -58.92 134.42 56.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.573 HG21 ' O ' ' A' ' 66' ' ' GLN . 44.1 mm -37.42 -42.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -59.89 -54.34 47.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.7 mm-40 -62.4 -42.74 99.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.8 t80 -49.19 -44.64 43.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' CG ' HD11 ' A' ' 51' ' ' LEU . 3.6 mttm -66.32 -46.37 77.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -28.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.675 ' O ' HD22 ' A' ' 40' ' ' LEU . 19.0 mmtt -79.11 -50.94 10.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.83 HD12 HD21 ' A' ' 51' ' ' LEU . 17.8 mt -55.25 -27.06 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' GLY . 82.3 mt-10 -44.65 -57.44 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.817 HD13 ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -66.16 -40.3 90.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.6 t -49.07 -63.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.2 m -82.65 -8.78 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . 65.43 27.03 72.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -125.69 167.59 16.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.966 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 138.5 22.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' CB ' ' OE2' ' A' ' 39' ' ' GLU . . . -62.2 -17.0 56.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.59 2.19 49.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 87' ' ' HIS . 63.6 m -137.27 38.01 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.436 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -153.08 137.8 16.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 111.018 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.75 159.89 16.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.83 HD21 HD12 ' A' ' 38' ' ' LEU . 18.7 mt -114.0 149.97 34.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -143.37 139.71 30.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.337 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.557 ' CD1' HG23 ' A' ' 76' ' ' VAL . 38.1 tp -112.32 116.98 31.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -107.72 154.1 21.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . -65.0 -124.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.161 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.69 -70.4 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -54.12 -52.06 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER 155.46 46.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 55' ' ' GLY . 22.8 tttt -102.56 114.1 28.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -59.87 136.56 58.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -109.47 -70.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.1 t -146.66 -176.91 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.7 mttp -116.53 142.56 46.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.511 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -91.11 59.71 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -71.99 -54.48 9.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.573 ' O ' HG21 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -43.27 126.42 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.632 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 3.2 pt-20 -93.74 -36.64 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -69.62 -8.61 49.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -75.48 177.5 6.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.786 ' CD2' HG22 ' A' ' 30' ' ' THR . 2.6 mt -139.26 155.64 47.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.358 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 27' ' ' ARG . 1.9 mt -70.21 105.32 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 147.69 -45.61 0.74 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.5 -22.27 42.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 110.008 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -91.57 165.76 20.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.557 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.02 55.3 3.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.557 HG23 ' CD1' ' A' ' 53' ' ' LEU . 8.9 p -119.08 168.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.438 ' H ' HG22 ' A' ' 76' ' ' VAL . 20.4 m-20 -170.98 166.46 7.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 9' ' ' MET . 1.1 p-10 -62.42 102.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 138.51 -25.51 2.85 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.6 -170.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -136.13 121.0 18.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.631 ' HB ' HD13 ' A' ' 12' ' ' ILE . 19.1 mm -107.69 105.52 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -86.89 140.69 29.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.549 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.436 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 31.7 t -112.67 106.07 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.365 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.7 mt -78.46 102.77 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.598 ' HB3' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.03 97.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 48' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.555 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -143.94 137.65 24.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 0.794 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 ttm -93.49 111.98 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 m -122.8 143.73 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -92.37 105.18 17.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.768 HD13 ' HB ' ' A' ' 82' ' ' ILE . 8.8 mm -83.58 133.39 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.72 165.37 26.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.0 p -165.06 153.87 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.003 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -7.62 50.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.852 HD11 ' HB3' ' A' ' 86' ' ' ASP . 0.4 OUTLIER -88.8 -45.82 9.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.89 -27.22 25.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m 70.75 -66.62 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.04 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -58.81 174.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 143.16 26.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.7 OUTLIER -107.34 142.38 37.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -113.89 98.83 7.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HE3' HG22 ' A' ' 41' ' ' VAL . 1.5 mmtm -127.57 -179.28 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 ttt-85 -138.41 146.41 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.569 ' OH ' HG21 ' A' ' 41' ' ' VAL . 87.5 m-85 -149.08 178.21 8.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 t -102.71 147.7 26.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.555 ' HG2' HG21 ' A' ' 8' ' ' VAL . 5.7 mtp180 -74.96 -1.3 21.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.82 -7.48 23.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.3 mt -67.35 109.49 3.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.716 HG22 ' CD2' ' A' ' 70' ' ' LEU . 43.6 p -56.13 133.43 52.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' A' ' 64' ' ' LEU . 44.7 mm -36.62 -42.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.843 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -61.87 -54.81 36.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.8 mm-40 -59.68 -44.02 93.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.935 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.5 t80 -48.41 -46.24 37.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.709 ' CG ' HD11 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -61.63 -49.92 74.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.72 -29.36 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.356 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -77.26 -51.14 11.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.935 HD21 ' CE1' ' A' ' 34' ' ' PHE . 17.5 mt -53.63 -28.45 32.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.538 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 31.7 mt-10 -47.41 -31.59 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.247 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -92.25 -25.95 18.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.662 HG11 HG21 ' A' ' 12' ' ' ILE . 44.9 t -71.06 -42.07 76.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -103.12 -8.43 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.94 21.25 60.98 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.456 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -118.68 168.88 8.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.933 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 136.19 20.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.553 1.817 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . . . -71.66 -5.77 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.75 4.7 52.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' HIS . 57.7 m -144.11 33.33 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.308 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.443 ' SD ' HG11 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -148.4 129.95 14.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -96.83 159.14 15.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.724 HD21 HD12 ' A' ' 38' ' ' LEU . 39.5 mt -115.37 141.55 47.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.553 ' CD ' HD11 ' A' ' 85' ' ' ILE . 9.4 mt-10 -132.87 148.48 52.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.703 HD21 ' O ' ' A' ' 75' ' ' PRO . 18.3 tp -119.22 107.73 13.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -101.2 154.53 18.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.16 -120.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.74 -69.59 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.746 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 4.1 m-20 -63.57 -47.49 81.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 2.7 t70 159.11 72.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -127.03 95.11 4.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -53.77 138.8 34.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -114.65 -78.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.14 171.06 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -108.64 132.93 53.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.587 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -76.96 57.12 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -66.58 -52.6 43.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.549 ' O ' HG21 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -52.22 123.71 11.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.843 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 3.7 pt-20 -89.26 -35.77 15.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.441 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -67.11 -15.27 63.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.541 ' HB3' HG13 ' A' ' 31' ' ' ILE . . . -70.03 173.81 6.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.716 ' CD2' HG22 ' A' ' 30' ' ' THR . 0.7 OUTLIER -135.81 160.88 37.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 27' ' ' ARG . 2.1 mt -75.12 104.79 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 148.14 -44.52 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -15.79 59.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 110.028 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CE2' HD12 ' A' ' 64' ' ' LEU . 20.3 m-85 -94.11 168.42 11.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.703 ' O ' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 54.43 3.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.588 HG23 ' CD1' ' A' ' 53' ' ' LEU . 8.9 p -122.96 168.3 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.439 ' H ' HG22 ' A' ' 76' ' ' VAL . 27.3 t0 -174.96 164.15 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -51.89 117.56 2.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 117.01 -24.9 9.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.6 m -55.62 -172.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -137.57 142.31 41.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.768 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.7 mm -121.15 102.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -89.94 119.29 30.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.603 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.443 HG11 ' SD ' ' A' ' 49' ' ' MET . 58.6 t -94.04 126.66 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.553 HD11 ' CD ' ' A' ' 52' ' ' GLU . 35.4 mt -96.93 103.82 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.852 ' HB3' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -57.24 106.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.4 m-70 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.631 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.66 131.58 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.2 mtt -89.74 112.66 24.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.1 m -120.46 153.72 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -91.95 103.38 15.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.803 HD13 ' HB ' ' A' ' 82' ' ' ILE . 12.0 mm -85.65 139.38 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.465 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 94.2 p -140.24 177.88 7.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.52 ' HB3' HG12 ' A' ' 42' ' ' VAL . 21.8 p -163.84 137.24 5.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -24.23 67.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 86' ' ' ASP . 1.3 mt -63.08 -50.08 71.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -99.0 127.39 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.01 60.11 1.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 179.54 161.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -105.93 163.71 12.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.27 173.04 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -122.11 98.01 5.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 10.1 mmtt -113.85 177.1 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 5.2 ttt-85 -138.51 146.86 42.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.56 ' OH ' HG21 ' A' ' 41' ' ' VAL . 35.0 m-85 -153.76 148.47 26.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.9 t -73.99 146.93 43.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 6.5 mtt180 -74.76 -1.66 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 m -103.09 -0.39 30.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.072 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.1 mt -74.38 120.66 20.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' GLU . 62.1 p -64.11 131.02 46.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.479 ' CG2' ' HE3' ' A' ' 35' ' ' LYS . 49.1 mm -37.64 -42.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -59.55 -53.21 60.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.2 mm-40 -61.39 -54.71 40.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.884 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.6 t80 -37.34 -58.21 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.623 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 71.9 mttt -50.17 -44.56 52.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.4 t -54.04 -37.7 64.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -70.21 -31.71 69.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.884 HD21 ' CE1' ' A' ' 34' ' ' PHE . 25.6 mt -74.96 -28.33 60.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 44' ' ' SER . 74.3 mt-10 -48.82 -26.88 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.645 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -93.49 -25.86 17.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.56 HG21 ' OH ' ' A' ' 25' ' ' TYR . 32.9 t -72.79 -47.75 48.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.701 HG11 HG11 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -92.92 -32.48 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 93.81 -6.95 73.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -95.36 162.92 23.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 136.54 20.61 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.623 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -65.96 -11.44 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.69 -3.35 58.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' HIS . 83.1 m -137.61 29.06 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.516 ' SD ' HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -145.28 131.18 19.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.465 ' HB3' HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -99.6 168.17 10.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.301 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.439 HD11 ' HG2' ' A' ' 35' ' ' LYS . 51.3 mt -124.35 155.86 38.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.61 ' HG3' HD11 ' A' ' 85' ' ' ILE . 3.2 mm-40 -140.09 140.85 36.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.52 HD13 HG23 ' A' ' 76' ' ' VAL . 15.3 tp -112.31 108.68 17.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 76.2 m-85 -103.82 143.3 33.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.476 ' HA3' ' CG ' ' A' ' 59' ' ' LYS . . . -67.96 -123.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.118 . . . . 0.0 111.057 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.36 -70.69 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 58' ' ' ASP . 46.3 p-10 -74.79 58.03 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 57' ' ' ASP . 22.6 t70 39.98 65.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' CG ' ' HA3' ' A' ' 55' ' ' GLY . 12.3 ptmt -117.42 109.3 16.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.601 ' CE1' ' OE2' ' A' ' 52' ' ' GLU . 34.8 t80 -60.17 133.91 56.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.401 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 3.6 m-30 -114.42 -65.3 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.77 169.05 24.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -104.74 143.05 33.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.424 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -86.28 73.52 10.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -94.54 -51.67 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.546 ' CG ' ' HB2' ' A' ' 69' ' ' ALA . 30.8 tp60 -41.32 104.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -75.99 -21.85 56.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.265 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.21 6.88 40.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.546 ' HB2' ' CG ' ' A' ' 66' ' ' GLN . . . -95.08 164.41 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.42 ' CD2' HG22 ' A' ' 30' ' ' THR . 4.0 mt -125.55 148.45 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.5 mt -64.3 101.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.69 -45.26 0.6 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.32 -21.64 50.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 110.03 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -90.64 166.45 19.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.56 3.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.52 HG23 HD13 ' A' ' 53' ' ' LEU . 4.9 p -115.65 167.91 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.5 p30 -170.97 159.77 6.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.72 102.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 135.17 -13.13 4.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.442 1.089 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.496 ' SG ' ' CG2' ' A' ' 76' ' ' VAL . 9.3 p -58.78 -164.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -146.77 111.02 5.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.803 ' HB ' HD13 ' A' ' 12' ' ' ILE . 4.2 mm -96.73 113.43 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -98.65 124.35 43.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.628 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.701 HG11 HG11 ' A' ' 42' ' ' VAL . 32.5 t -92.19 116.34 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.61 HD11 ' HG3' ' A' ' 52' ' ' GLU . 16.0 mt -89.73 102.9 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.572 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -55.59 102.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.597 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.58 150.74 2.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 110.045 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.01 122.57 11.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.2 109.87 2.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -165.11 86.33 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 0.736 . . . . 0.0 109.958 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.39 151.5 0.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.08 -150.97 7.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.614 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -137.27 133.67 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.408 ' O ' ' HA ' ' A' ' 78' ' ' ASP . 2.7 mtt -81.99 118.28 22.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.0 m -127.79 150.14 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -92.32 103.1 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.852 HD13 ' HB ' ' A' ' 82' ' ' ILE . 4.8 mm -84.26 138.99 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 t -134.18 179.35 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.497 ' CB ' HG12 ' A' ' 42' ' ' VAL . 44.4 p -173.51 134.08 0.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -50.99 -23.88 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.964 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 86' ' ' ASP . 0.5 OUTLIER -71.7 -49.2 41.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.33 143.54 33.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -59.27 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.976 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -101.6 173.08 6.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.52 157.99 23.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.6 m -105.6 171.29 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -122.84 99.59 6.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -125.29 177.4 6.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -138.72 147.2 42.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -153.32 142.61 21.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.4 t -68.34 147.92 51.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.614 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.9 mtt180 -72.44 -3.89 26.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.26 -5.75 39.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.1 mt -72.53 106.66 4.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.661 HG22 HD23 ' A' ' 70' ' ' LEU . 3.1 p -56.11 136.8 52.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.443 HG21 ' O ' ' A' ' 64' ' ' LEU . 36.7 mm -37.33 -48.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.9 -52.45 64.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.7 mm-40 -62.45 -48.8 78.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.696 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -43.81 -46.51 7.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.855 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -61.34 -47.2 86.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -29.7 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' A' ' 35' ' ' LYS . 4.2 mmtt -77.86 -56.54 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.696 HD21 ' CE1' ' A' ' 34' ' ' PHE . 9.2 mt -48.04 -27.02 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.687 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 24.3 mt-10 -51.11 -30.6 16.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.9 mt -93.27 -22.36 19.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.6 t -74.68 -58.4 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.2 m -85.05 -16.12 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 72.56 5.9 64.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.426 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -103.78 173.83 3.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 110.007 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.99 132.51 15.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.855 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -72.69 -18.99 61.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.1 6.1 17.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.7 m -127.51 -59.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 108.27 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.493 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.2 ptp -52.73 152.26 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.432 ' HB3' HD12 ' A' ' 85' ' ' ILE . 2.1 tp10 -117.48 157.17 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.353 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.625 ' CD2' HD12 ' A' ' 38' ' ' LEU . 14.8 mt -112.97 154.15 26.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.619 ' CD ' HD11 ' A' ' 85' ' ' ILE . 46.6 mt-10 -144.94 139.5 27.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.708 HD13 HG23 ' A' ' 76' ' ' VAL . 7.6 tp -107.45 98.85 8.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -94.72 141.54 28.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.35 -142.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.24 -73.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 0.794 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' ASP . 11.8 t0 -74.64 58.08 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' ASP . 19.1 m-20 39.62 75.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.98 96.25 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -48.17 137.33 10.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -114.58 -74.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.81 174.43 10.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -109.32 143.11 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.476 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -90.65 63.3 5.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -81.83 -42.8 19.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.458 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.9 OUTLIER -53.04 114.0 1.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -90.28 -26.44 20.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.45 11.32 14.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -99.3 158.25 15.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.661 HD23 HG22 ' A' ' 30' ' ' THR . 18.3 mt -106.18 134.06 49.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.441 ' O ' ' CA ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -56.05 101.14 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.59 -44.93 0.58 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 p -51.13 -22.08 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.029 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.465 ' CE2' HD12 ' A' ' 64' ' ' LEU . 25.2 m-85 -84.88 167.69 25.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.68 4.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.545 1.813 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.708 HG23 HD13 ' A' ' 53' ' ' LEU . 5.0 p -117.52 172.16 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.52 ' H ' HG22 ' A' ' 76' ' ' VAL . 18.1 m-20 -173.58 161.16 3.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.361 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.4 OUTLIER -58.59 96.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.33 -16.22 2.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.32 -172.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.49 130.43 42.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.852 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.0 mm -111.33 101.52 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -88.39 110.63 20.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.587 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG2' HD13 ' A' ' 38' ' ' LEU . 46.4 t -84.99 117.7 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.619 HD11 ' CD ' ' A' ' 52' ' ' GLU . 53.8 mt -87.49 102.69 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.629 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -64.03 101.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -87.11 -24.57 24.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.628 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 t -57.55 -57.88 10.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.43 -76.84 0.26 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.75 158.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 165.52 -85.58 0.1 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -52.59 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 t -74.96 155.98 36.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.65 -60.04 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -81.87 99.39 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.76 . . . . 0.0 109.951 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -153.55 118.5 5.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.37 91.82 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.46 -45.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -160.62 146.76 15.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.964 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.38 148.29 18.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.62 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -128.03 126.14 65.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.453 0.737 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.0 OUTLIER -75.9 105.79 7.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.84 149.71 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -92.52 103.16 15.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.66 HD13 ' HB ' ' A' ' 82' ' ' ILE . 9.7 mm -84.55 133.71 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 t -131.37 171.15 13.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 110.019 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.2 p -158.08 146.88 19.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -4.51 38.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.67 HD11 ' OD1' ' A' ' 86' ' ' ASP . 4.1 mt -76.59 -50.09 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -111.86 135.48 52.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.3 m -79.41 68.61 5.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.03 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -179.74 159.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -103.79 151.06 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -108.59 167.06 10.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -122.89 99.61 6.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -125.46 177.16 6.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 3.0 ttt180 -136.49 144.24 44.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.497 ' OH ' HG21 ' A' ' 41' ' ' VAL . 75.7 m-85 -149.3 142.31 24.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 28' ' ' SER . 5.8 t -72.24 125.92 28.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.027 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.62 ' HG2' HG21 ' A' ' 8' ' ' VAL . 1.2 mtt85 -46.51 -23.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -65.56 -37.43 86.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.054 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 29' ' ' LEU . 9.2 mt -42.6 111.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.846 HG22 ' CD2' ' A' ' 70' ' ' LEU . 80.4 p -64.44 137.39 57.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 30' ' ' THR . 38.2 mm -34.41 -41.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -63.3 -58.88 5.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.3 mm-40 -56.88 -42.22 79.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -49.16 -47.78 45.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.848 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 2.1 mttm -62.4 -47.93 81.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -48.34 -30.16 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 108.325 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -76.43 -48.76 18.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.709 HD21 ' CE1' ' A' ' 34' ' ' PHE . 30.2 mt -59.25 -33.36 70.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.788 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 25.2 mt-10 -39.43 -35.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.8 mt -87.29 -50.02 6.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.497 HG21 ' OH ' ' A' ' 25' ' ' TYR . 79.4 t -41.09 -37.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -111.0 -19.17 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 73.58 21.47 79.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -116.65 174.46 2.46 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.754 . . . . 0.0 110.015 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.94 135.4 19.15 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.549 1.815 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.848 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -77.58 -20.14 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.24 0.51 24.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.8 m -118.11 -66.08 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.26 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 8.3 ptp -44.35 154.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -116.45 161.87 18.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.55 HD21 HD12 ' A' ' 38' ' ' LEU . 21.9 mt -114.44 143.3 45.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -141.87 131.55 24.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.637 HD13 ' CG2' ' A' ' 76' ' ' VAL . 12.1 tp -104.76 107.14 17.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -91.87 147.4 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . -74.49 -144.13 0.91 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.422 1.076 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.7 -66.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 58' ' ' ASP . 9.0 t0 -77.44 55.28 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' ASP . 29.0 m-20 37.96 78.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.5 tttm -138.23 107.43 6.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -53.06 139.83 27.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -112.32 -80.19 0.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.45 178.1 6.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.53 132.31 53.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -88.49 66.85 8.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.36 -48.25 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.891 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 4.3 tp60 -40.69 107.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -73.61 -42.22 61.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -12.18 31.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.891 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -81.68 153.39 26.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.846 ' CD2' HG22 ' A' ' 30' ' ' THR . 24.7 mt -113.06 134.76 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -54.09 101.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.0 -50.23 0.51 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.45 -23.51 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -82.57 166.89 33.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.82 3.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.637 ' CG2' HD13 ' A' ' 53' ' ' LEU . 9.7 p -124.13 166.72 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -171.84 165.99 6.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -57.43 103.48 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 137.38 -18.68 3.45 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.6 m -68.43 -173.36 0.42 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.89 129.21 36.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.272 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.66 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.8 mm -108.79 100.47 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -82.92 105.41 13.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.623 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 38.8 t -85.52 103.03 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.3 mt -74.07 103.76 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.67 ' OD1' HD11 ' A' ' 16' ' ' LEU . 37.0 t70 -59.43 105.43 0.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -99.06 15.68 25.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.634 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.0 88.31 2.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -143.88 91.52 0.16 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -60.51 151.16 29.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -116.8 177.9 16.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 67.0 6.03 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.47 157.96 20.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.42 106.22 5.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t 63.93 99.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -109.13 103.33 12.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.16 -124.56 0.76 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.102 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -41.52 150.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.8 p -123.53 78.37 1.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.55 -148.78 25.29 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.685 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -142.01 132.92 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.781 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.41 ' O ' ' HA ' ' A' ' 78' ' ' ASP . 1.4 mpp? -94.5 115.72 27.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.7 m -120.34 151.4 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -94.4 103.05 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.784 HD13 ' HB ' ' A' ' 82' ' ' ILE . 7.5 mm -84.27 141.92 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -150.21 165.1 33.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.39 157.51 42.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -23.3 63.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.51 -47.41 86.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -117.05 119.01 33.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.08 78.34 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -177.57 169.52 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -110.91 134.04 52.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 m -98.96 166.6 11.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.061 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -122.55 98.79 6.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HE3' HG22 ' A' ' 41' ' ' VAL . 2.9 mmtt -123.51 175.61 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 6.3 ttt180 -135.53 143.41 45.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.4 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 37.8 m-85 -147.81 157.01 43.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.9 t -83.23 147.65 27.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.685 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.5 mtp180 -74.09 -1.88 22.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.4 m -101.35 -3.22 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.573 HD13 ' HD3' ' A' ' 37' ' ' LYS . 7.2 mt -73.29 107.69 5.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.835 HG22 ' CD2' ' A' ' 70' ' ' LEU . 40.8 p -53.93 133.45 43.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 64' ' ' LEU . 43.2 mm -37.98 -42.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -61.16 -52.65 63.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.0 mm-40 -59.5 -52.3 66.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -42.31 -45.29 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.79 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.5 mttm -58.15 -40.5 81.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -56.42 -35.09 67.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.276 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.573 ' HD3' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -71.37 -35.78 71.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.781 HD12 HD21 ' A' ' 51' ' ' LEU . 23.5 mt -71.29 -35.48 71.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.815 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 32.3 mt-10 -40.86 -30.08 0.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.9 mt -92.82 -42.97 9.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.515 HG11 HG21 ' A' ' 12' ' ' ILE . 98.1 t -51.84 -35.8 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -107.77 -31.01 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.485 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 89.13 1.86 78.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -100.94 173.77 3.42 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.03 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.03 137.4 21.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.815 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . . . -75.01 -19.91 59.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.33 0.75 27.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.0 m -120.72 -65.3 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.478 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.1 ptp -46.53 150.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 84' ' ' VAL . 3.3 tp10 -112.12 160.53 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.781 HD21 HD12 ' A' ' 38' ' ' LEU . 39.1 mt -115.11 144.39 43.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' CD ' HD11 ' A' ' 85' ' ' ILE . 3.7 mt-10 -138.83 145.13 39.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.594 HD21 ' O ' ' A' ' 75' ' ' PRO . 14.7 tp -114.28 102.79 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.527 ' CE2' ' NH2' ' A' ' 81' ' ' ARG . 9.0 m-85 -93.8 146.92 23.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.78 -132.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.18 -72.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 3.9 t70 -52.98 -52.68 57.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 2.3 p30 154.05 60.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -116.42 110.13 18.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -61.43 140.63 58.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -114.75 -76.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.16 172.49 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.956 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.07 135.89 44.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.499 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -86.34 68.77 10.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.3 -46.34 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.904 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 22.6 tp60 -41.42 103.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.539 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 1.2 mt-10 -71.0 -42.46 69.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -13.97 31.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.904 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -83.61 158.13 22.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.835 ' CD2' HG22 ' A' ' 30' ' ' THR . 13.4 mt -119.38 148.31 43.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.464 HD11 ' CE2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -64.32 103.07 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.247 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 147.56 -40.37 0.98 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -19.57 65.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.421 ' CD2' HD12 ' A' ' 64' ' ' LEU . 11.8 m-85 -86.16 169.03 16.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.052 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.594 ' O ' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.01 55.39 3.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 77' ' ' ASP . 7.5 p -123.36 167.81 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 76' ' ' VAL . 32.2 t0 -174.52 165.21 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.9 OUTLIER -58.25 100.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.78 -21.44 2.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.4 m -68.67 -173.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.527 ' NH2' ' CE2' ' A' ' 54' ' ' TYR . 33.2 ttp180 -136.17 142.24 44.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.784 ' HB ' HD13 ' A' ' 12' ' ' ILE . 3.6 mm -115.01 99.89 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 70.7 t60 -84.94 97.57 9.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.563 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.478 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 96.4 t -77.32 109.36 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.478 HD11 ' CD ' ' A' ' 52' ' ' GLU . 53.0 mt -76.01 102.62 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 2.6 p-10 -57.53 116.28 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -107.11 0.44 23.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.628 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.8 p -84.89 -50.92 7.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -41.92 -82.15 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.33 158.27 37.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.993 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 167.13 118.11 0.42 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.81 19.61 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.03 80.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 t -117.88 113.06 21.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.1 p -170.09 116.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.978 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.82 116.49 28.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.33 99.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.39 132.59 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.026 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.65 140.42 9.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.79 -166.22 12.23 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.637 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -138.03 128.11 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' ASP . 2.5 mtt -84.33 110.94 18.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.79 148.35 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -91.88 102.5 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.824 HD13 ' HB ' ' A' ' 82' ' ' ILE . 11.0 mm -84.15 146.49 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 p -152.86 -176.45 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -171.28 165.65 7.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 t -78.11 -23.05 48.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.98 -61.98 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -108.11 119.61 39.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.36 71.45 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -169.82 157.63 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -100.03 146.66 26.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -112.01 167.69 10.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.987 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -122.97 98.54 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -120.6 173.66 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 10.3 ttt180 -138.14 143.64 40.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.415 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 14.1 m-85 -149.51 161.55 41.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 111.051 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -86.05 145.58 27.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.637 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.7 mtt180 -70.14 -7.15 39.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.47 -19.66 19.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.975 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 29' ' ' LEU . 6.7 mt -57.8 121.32 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.746 HG22 HD23 ' A' ' 70' ' ' LEU . 1.4 p -68.57 136.05 52.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.511 HG22 ' CE ' ' A' ' 35' ' ' LYS . 28.0 mm -37.51 -49.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.413 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -51.31 -51.99 49.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 30' ' ' THR . 5.1 mm-40 -65.53 -53.5 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CE2' HD11 ' A' ' 71' ' ' LEU . 3.4 t80 -41.43 -46.27 3.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.593 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 24.9 mttt -62.94 -41.11 99.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -50.42 -32.79 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 108.316 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 8.9 mptt -75.1 -37.62 61.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.637 HD22 HG21 ' A' ' 12' ' ' ILE . 19.6 mt -70.88 -29.22 65.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.622 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 47.9 mt-10 -44.75 -31.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.32 -30.49 15.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.113 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' LEU . 84.0 t -61.71 -40.52 87.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -105.04 -26.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 86.75 7.46 78.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -105.28 168.6 8.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.23 20.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.622 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . . . -70.74 -21.86 62.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.1 2.4 20.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 66.7 m -122.21 -65.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.272 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.488 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.3 ptp -44.89 159.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HB3' HD12 ' A' ' 85' ' ' ILE . 2.5 tp10 -123.24 160.38 26.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.572 HD12 ' HE3' ' A' ' 35' ' ' LYS . 40.7 mt -109.42 161.11 15.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.79 ' CD ' HD11 ' A' ' 85' ' ' ILE . 56.0 mt-10 -157.19 128.42 6.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.494 HD21 ' O ' ' A' ' 75' ' ' PRO . 12.6 tp -100.88 109.25 21.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -93.18 146.59 23.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 111.04 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.71 -140.28 0.66 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.04 -73.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 58' ' ' ASP . 24.6 t0 -75.14 57.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER 39.49 74.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.91 98.96 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.555 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 0.8 OUTLIER -50.74 137.86 19.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -115.73 -80.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.46 164.54 19.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.469 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -104.81 132.28 51.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD12 ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -80.87 72.32 7.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -93.17 -39.84 10.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.547 ' HB3' ' HB2' ' A' ' 69' ' ' ALA . 20.0 tp60 -49.64 116.53 1.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 7.5 mt-10 -81.3 -36.19 30.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -3.47 35.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -78.02 173.68 11.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.746 HD23 HG22 ' A' ' 30' ' ' THR . 1.6 mt -141.19 141.05 34.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.468 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.8 mt -57.2 102.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.54 -46.64 0.62 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.97 -18.87 15.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 0.74 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CE2' HD12 ' A' ' 64' ' ' LEU . 47.9 m-85 -95.53 166.24 15.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.494 ' O ' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.01 54.7 3.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.467 1.772 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.3 p -118.5 156.87 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -159.83 164.56 33.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -60.99 92.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 149.85 -28.3 1.15 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.74 -170.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 ttm105 -134.2 140.91 46.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.824 ' HB ' HD13 ' A' ' 12' ' ' ILE . 3.8 mm -118.61 100.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -82.92 120.97 26.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.65 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.488 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 23.3 t -97.99 116.49 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.79 HD11 ' CD ' ' A' ' 52' ' ' GLU . 23.0 mt -87.79 103.34 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.85 98.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -96.02 16.91 16.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 109.648 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.28 80.01 1.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.26 96.26 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.551 1.157 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.3 t -168.88 -55.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.043 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.48 94.56 2.28 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.23 12.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.458 1.768 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -136.46 143.69 43.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.89 160.39 14.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.08 120.46 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 m -70.27 -54.83 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.03 -78.24 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.04 -60.03 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 0.758 . . . . 0.0 110.042 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -152.19 128.97 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.45 160.18 28.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.112 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.432 HG21 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -132.66 129.01 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 109.34 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.48 107.67 20.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.453 HG12 ' SG ' ' A' ' 80' ' ' CYS . 28.7 m -111.08 151.37 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -93.78 102.38 14.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.959 HD13 ' HB ' ' A' ' 82' ' ' ILE . 5.7 mm -84.2 128.37 38.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.14 164.53 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.423 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 82.8 p -155.01 148.16 24.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.409 ' CB ' ' OD1' ' A' ' 86' ' ' ASP . 0.2 OUTLIER -63.03 -17.41 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.043 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' A' ' 86' ' ' ASP . 2.1 mt -70.82 -45.49 64.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -108.41 118.84 37.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.65 70.24 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 178.99 -177.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -119.55 133.0 55.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.9 m -93.28 163.12 13.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -122.92 98.98 6.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.617 ' NZ ' HG22 ' A' ' 41' ' ' VAL . 5.3 mmtt -126.45 178.72 5.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -134.94 146.3 49.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -151.6 141.29 21.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 24.3 t -72.26 128.66 36.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' CG ' HG21 ' A' ' 8' ' ' VAL . 11.4 mtm180 -50.93 -20.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.8 p -69.86 -36.82 75.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.167 . . . . 0.0 110.028 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 29' ' ' LEU . 10.1 mt -43.58 118.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.907 HG22 HD23 ' A' ' 70' ' ' LEU . 1.3 p -73.26 137.71 45.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.485 ' C ' ' O ' ' A' ' 30' ' ' THR . 15.2 mm -32.84 -48.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.451 ' HB2' ' HG2' ' A' ' 67' ' ' GLU . . . -54.1 -61.45 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.7 mm-40 -56.08 -52.82 62.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.699 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -39.3 -44.25 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.812 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -62.61 -48.8 77.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.5 OUTLIER -46.6 -33.04 3.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 41' ' ' VAL . 16.7 mmtt -72.39 -47.28 50.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.699 HD21 ' CE1' ' A' ' 34' ' ' PHE . 7.0 mt -58.57 -34.53 71.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.684 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 44.4 mt-10 -46.19 -30.36 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.65 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -93.82 -27.82 16.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.617 HG22 ' NZ ' ' A' ' 23' ' ' LYS . 43.4 t -70.18 -44.1 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -96.98 -32.57 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 91.82 1.85 70.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.426 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.2 OUTLIER -102.13 173.96 3.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.026 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.05 138.69 23.25 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.812 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -75.29 -19.31 59.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.4 5.23 18.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 77.6 m -126.23 -63.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.478 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.4 ptp -45.58 148.9 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -110.64 153.62 24.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.641 HD11 ' CG ' ' A' ' 35' ' ' LYS . 16.5 mt -110.59 144.84 38.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 3.4 mt-10 -140.57 137.92 34.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.462 ' CD2' ' HD2' ' A' ' 75' ' ' PRO . 12.9 tp -112.26 107.75 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 55' ' ' GLY . 55.8 m-85 -102.07 148.54 25.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 54' ' ' TYR . . . -58.2 -118.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -107.5 -69.91 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -61.7 -47.57 84.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER 159.32 46.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -95.97 96.86 9.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -60.03 130.96 49.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.402 ' CE2' ' HA2' ' A' ' 55' ' ' GLY . 9.5 m-85 -106.35 -79.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -138.3 169.77 17.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -103.7 132.14 50.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.458 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.5 81.05 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -105.66 -53.51 2.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 28.7 tp60 -42.95 115.02 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' HG2' ' HB2' ' A' ' 32' ' ' ALA . 2.9 mt-10 -76.38 -41.14 48.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.47 -14.32 62.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -75.65 143.61 42.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.907 HD23 HG22 ' A' ' 30' ' ' THR . 63.4 mt -104.23 132.72 50.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -52.71 101.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.28 -54.57 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.84 -27.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.418 ' CD2' HD12 ' A' ' 64' ' ' LEU . 30.9 m-85 -79.16 168.44 26.84 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.462 ' HD2' ' CD2' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 55.56 3.98 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.456 1.766 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.453 HG22 ' H ' ' A' ' 77' ' ' ASP . 9.8 p -104.99 168.58 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.453 ' H ' HG22 ' A' ' 76' ' ' VAL . 12.1 m-20 -169.02 153.82 5.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.02 98.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.63 -7.04 4.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.453 ' SG ' HG12 ' A' ' 10' ' ' VAL . 11.9 p -57.5 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -146.63 111.35 5.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.959 ' HB ' HD13 ' A' ' 12' ' ' ILE . 5.4 mm -95.62 100.45 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -87.05 109.62 19.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.566 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.478 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 25.5 t -89.87 107.26 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.7 mt -79.55 102.79 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.654 ' HB3' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -54.21 98.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.75 16.21 11.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 t -112.18 -41.19 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -57.88 -90.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.2 m -116.55 111.0 19.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.774 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.47 -178.6 41.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 178.97 6.56 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.87 138.83 50.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.1 99.46 3.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -158.36 168.02 28.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.725 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -120.63 126.98 51.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.56 78.78 0.37 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.152 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -136.7 162.94 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 m -60.29 -56.7 18.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.66 163.12 11.85 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.602 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -129.5 129.21 66.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.561 0.8 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 mtp -85.15 117.25 23.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 m -124.95 150.59 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -92.05 103.28 15.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.857 HD13 ' HB ' ' A' ' 82' ' ' ILE . 6.0 mm -84.4 135.34 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.11 -178.01 4.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.442 ' OG ' ' ND2' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -170.79 161.61 7.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.024 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.68 -15.5 51.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.589 HD11 ' OD1' ' A' ' 86' ' ' ASP . 1.2 mt -69.2 -63.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.442 ' ND2' ' OG ' ' A' ' 14' ' ' SER . 2.6 p30 -74.09 -36.52 64.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.97 32.7 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -143.78 172.96 12.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -102.69 129.17 49.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.6 m -104.26 171.74 7.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -122.44 98.67 6.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 4.5 mmtt -122.84 174.7 6.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.526 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 14.4 ttt-85 -138.11 146.75 43.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.526 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 28.4 m-85 -152.17 149.99 29.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.2 t -77.21 149.17 35.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.963 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.602 ' HG2' HG21 ' A' ' 8' ' ' VAL . 8.3 mtt180 -73.7 -1.81 20.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.358 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.93 -0.3 29.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.3 mt -76.28 112.5 12.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.653 HG22 ' CD2' ' A' ' 70' ' ' LEU . 33.5 p -57.8 133.31 55.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.807 HG22 ' HE3' ' A' ' 35' ' ' LYS . 42.6 mm -38.36 -42.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -60.8 -51.75 68.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.4 mm-40 -62.68 -47.71 82.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.762 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.5 t80 -45.46 -47.06 13.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.827 ' CG ' HD11 ' A' ' 51' ' ' LEU . 22.4 mttt -60.11 -43.57 95.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.85 -36.55 7.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.351 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 13.3 mptt -72.99 -38.84 66.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.762 HD21 ' CE1' ' A' ' 34' ' ' PHE . 20.0 mt -66.34 -28.42 68.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.746 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 42.0 mt-10 -50.17 -30.85 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.2 mt -92.59 -23.54 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.64 -42.78 80.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -105.55 -10.74 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.429 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 69.07 12.8 65.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.563 1.164 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -109.23 172.54 3.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.753 . . . . 0.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.86 20.86 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.485 1.782 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.777 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -77.21 -19.77 56.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.75 3.01 20.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.9 m -123.61 -64.98 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.559 ' HE3' ' HA ' ' A' ' 46' ' ' ALA . 6.9 ptp -45.17 160.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.679 ' O ' HD23 ' A' ' 51' ' ' LEU . 3.2 tp10 -120.05 167.04 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.827 HD11 ' CG ' ' A' ' 35' ' ' LYS . 12.2 mt -119.77 162.7 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 40.5 mt-10 -155.0 135.29 13.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.571 ' HB2' HD21 ' A' ' 64' ' ' LEU . 24.9 tp -109.5 103.26 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.519 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 62.5 m-85 -99.8 143.12 30.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.99 -130.36 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.27 -71.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ASP . 5.3 t70 -74.01 57.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.519 ' OD1' ' CD2' ' A' ' 54' ' ' TYR . 26.8 t0 38.41 58.54 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.92 111.99 23.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -61.57 133.54 55.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -110.27 -67.5 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.08 169.96 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.038 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.53 130.06 50.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -82.03 69.27 8.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -95.49 -42.96 8.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.934 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 2.7 tp-100 -47.14 109.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.51 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -76.88 -31.89 57.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.36 0.4 25.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.934 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -87.23 174.07 8.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.653 ' CD2' HG22 ' A' ' 30' ' ' THR . 1.2 mt -140.29 147.91 40.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 71' ' ' LEU . 1.2 mt -59.75 117.95 5.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 132.03 -56.29 0.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.02 -25.92 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 110.023 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CE2' HD12 ' A' ' 64' ' ' LEU . 30.1 m-85 -86.75 168.8 16.84 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.98 55.51 3.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.664 HG22 ' H ' ' A' ' 77' ' ' ASP . 5.7 p -103.17 176.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.664 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.5 p30 -175.49 141.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -49.96 96.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.3 -14.87 2.99 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -137.58 124.51 21.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.857 ' HB ' HD13 ' A' ' 12' ' ' ILE . 8.9 mm -106.5 100.06 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -88.91 124.19 33.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.562 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.457 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 64.7 t -98.35 126.6 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.6 mt -95.76 102.69 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.589 ' OD1' HD11 ' A' ' 16' ' ' LEU . 22.8 t70 -57.64 103.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -98.37 9.82 42.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.566 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 m -132.23 73.64 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -86.45 94.62 1.97 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.33 135.65 17.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.92 174.49 40.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 81.45 2.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 m -121.58 86.07 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.8 t -42.25 138.17 1.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.449 1.093 . . . . 0.0 111.055 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.24 -57.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.756 . . . . 0.0 110.009 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m 55.86 84.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.28 -89.93 0.31 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -163.55 139.34 6.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -47.67 133.46 13.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.956 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.04 177.62 36.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.655 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -129.04 128.24 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.48 110.41 12.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 m -122.55 146.46 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -92.15 104.04 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.748 HD13 ' HB ' ' A' ' 82' ' ' ILE . 14.4 mm -84.33 134.98 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 p -135.43 154.18 51.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.942 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.44 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 27.8 p -145.34 142.74 29.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -8.46 53.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.009 HD11 ' OD1' ' A' ' 86' ' ' ASP . 3.9 mt -78.43 -46.84 18.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.2 -26.84 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t 60.29 50.72 5.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -163.19 163.73 25.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.161 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -94.89 124.11 38.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -98.74 168.49 10.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -122.5 99.28 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -126.06 175.37 7.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 2.6 ttt-85 -138.6 147.46 42.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 52.4 m-85 -152.81 154.53 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.9 t -78.23 148.04 34.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.655 ' HG2' HG21 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -74.25 -1.86 22.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.81 -0.49 34.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 29' ' ' LEU . 6.9 mt -75.5 111.91 11.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.71 HG22 ' CD2' ' A' ' 70' ' ' LEU . 74.3 p -56.91 133.85 54.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.479 HD12 ' HG ' ' A' ' 64' ' ' LEU . 47.5 mm -37.39 -43.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.06 -53.81 52.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.3 mm-40 -61.1 -45.74 93.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -46.95 -47.08 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.746 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 4.3 mttm -62.92 -45.88 90.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.402 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -44.43 -33.44 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 108.318 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -74.94 -45.4 42.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 42' ' ' VAL . 22.5 mt -61.05 -32.24 71.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.693 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 64.5 mt-10 -44.8 -34.74 2.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.227 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.722 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -86.29 -41.62 14.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.9 t -49.49 -42.29 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -103.2 -29.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 87.57 20.88 49.99 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -119.66 173.6 3.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.0 139.16 23.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.746 ' HB1' ' CB ' ' A' ' 35' ' ' LYS . . . -79.05 -20.56 48.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.51 4.42 18.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 90.8 m -121.63 -57.88 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.317 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.432 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 5.5 ptp -57.85 148.63 24.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.47 ' HB3' HD12 ' A' ' 85' ' ' ILE . 3.1 tp10 -108.17 157.64 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.47 ' CD2' HG22 ' A' ' 84' ' ' VAL . 13.9 mt -114.94 163.37 15.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.489 ' OE2' ' CE1' ' A' ' 60' ' ' PHE . 21.3 mt-10 -158.56 140.79 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.728 HD11 HG23 ' A' ' 76' ' ' VAL . 53.1 tp -105.88 131.82 52.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 26.5 m-85 -121.74 151.04 40.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.72 -125.35 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.5 -70.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 58' ' ' ASP . 19.5 t0 -73.47 58.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' ASP . 77.9 m-20 39.4 68.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 17.5 tttp -120.78 110.47 16.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.489 ' CE1' ' OE2' ' A' ' 52' ' ' GLU . 59.6 t80 -56.04 137.19 51.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -115.28 -74.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.59 169.32 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.472 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -105.82 125.05 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.479 ' HG ' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -72.93 63.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -79.89 -46.14 17.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.457 ' O ' HG21 ' A' ' 31' ' ' ILE . 33.5 tp60 -45.97 145.1 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -111.88 -30.45 7.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.3 1.73 43.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.81 177.38 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.71 ' CD2' HG22 ' A' ' 30' ' ' THR . 2.2 mt -139.95 152.26 46.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 71' ' ' LEU . 1.1 mt -66.15 111.82 3.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.404 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 140.88 -56.28 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.43 -26.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.463 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 71.7 m-85 -86.74 167.92 20.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.682 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.0 56.98 4.42 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.728 HG23 HD11 ' A' ' 53' ' ' LEU . 4.9 p -103.48 179.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.684 ' H ' HG22 ' A' ' 76' ' ' VAL . 16.4 t0 -175.02 162.14 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.95 90.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.77 -15.46 2.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.19 -170.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -136.7 138.15 40.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.748 ' HB ' HD13 ' A' ' 12' ' ' ILE . 6.4 mm -118.27 99.85 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -82.43 131.84 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.589 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.47 HG22 ' CD2' ' A' ' 51' ' ' LEU . 69.6 t -109.95 119.33 58.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.47 HD12 ' HB3' ' A' ' 50' ' ' GLU . 47.5 mt -87.53 102.64 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 1.009 ' OD1' HD11 ' A' ' 16' ' ' LEU . 29.5 t70 -54.44 104.52 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -101.09 2.97 40.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.619 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.4 77.81 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -111.73 92.0 0.63 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 99.7 p -138.7 155.34 48.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.005 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -108.13 -84.63 1.66 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 95.93 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.68 143.86 47.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m 51.15 -176.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.956 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -104.64 89.61 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -77.58 142.55 38.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.57 -88.33 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.147 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -93.01 86.73 5.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.9 OUTLIER -138.83 -66.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.98 168.15 14.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.632 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -130.43 123.76 56.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.796 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' ASP . 11.5 mtm -75.08 109.45 8.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.53 147.23 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -92.45 103.05 15.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.798 HD13 ' HB ' ' A' ' 82' ' ' ILE . 8.5 mm -84.25 151.63 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.1 p -155.56 166.3 33.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.3 p -154.78 154.48 32.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.21 -26.62 66.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -57.76 11.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -96.94 120.7 37.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.16 60.93 2.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -166.57 176.72 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.47 143.79 43.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -110.69 165.81 11.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -123.07 98.77 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -121.78 174.88 6.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 4.6 ttt180 -135.92 143.65 45.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.41 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 57.8 m-85 -150.46 134.91 17.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 16.4 t -66.36 133.89 51.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.632 ' HG2' HG21 ' A' ' 8' ' ' VAL . 5.6 mtt180 -53.02 -18.94 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.6 m -71.54 -37.68 71.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 29' ' ' LEU . 8.8 mt -43.28 111.53 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.905 HG22 ' CD2' ' A' ' 70' ' ' LEU . 59.8 p -65.11 137.55 57.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' A' ' 30' ' ' THR . 40.8 mm -34.23 -43.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.676 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -62.58 -58.54 7.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' THR . 5.5 mm-40 -56.51 -43.32 79.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.659 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -48.19 -48.36 34.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.825 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -59.96 -47.92 83.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 1.8 t -46.32 -35.35 5.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.331 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -72.84 -48.15 40.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 34' ' ' PHE . 42.3 mt -58.95 -36.78 75.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.746 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 27.7 mt-10 -39.38 -39.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.586 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -81.24 -42.11 21.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' LEU . 97.2 t -50.08 -54.71 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.42 -18.91 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 75.87 10.83 84.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -107.54 173.87 2.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.966 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.06 142.12 27.28 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.788 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.825 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -82.77 -15.26 52.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.89 3.9 27.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.3 m -124.48 -62.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.312 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.472 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 5.9 ptp -49.99 152.34 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' O ' HD23 ' A' ' 51' ' ' LEU . 1.8 tp10 -113.94 166.09 11.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.573 HD21 HD12 ' A' ' 38' ' ' LEU . 36.8 mt -118.27 145.25 45.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -139.41 143.11 37.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.488 HD13 ' CG2' ' A' ' 76' ' ' VAL . 14.0 tp -114.44 103.22 10.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -93.78 149.55 21.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.424 ' HA3' ' CG ' ' A' ' 59' ' ' LYS . . . -79.97 -137.13 1.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.52 -73.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' ASP . 4.3 m-20 -73.77 57.36 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' ASP . 17.2 t70 37.67 72.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.424 ' CG ' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -123.81 105.33 9.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -58.78 135.63 57.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -109.27 -79.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.34 167.23 18.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.04 136.6 38.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.458 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -88.86 70.53 8.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -95.64 -50.3 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.923 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 27.7 tp60 -40.25 103.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.676 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 1.7 mt-10 -73.01 -41.17 64.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.93 -12.48 37.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.923 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -82.65 156.28 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.905 ' CD2' HG22 ' A' ' 30' ' ' THR . 15.6 mt -113.01 143.47 44.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -61.69 101.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.15 -47.93 0.54 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.87 -27.12 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 0.791 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -80.88 166.86 36.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.98 4.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.488 ' CG2' HD13 ' A' ' 53' ' ' LEU . 9.9 p -125.44 166.8 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -174.36 170.44 3.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 9' ' ' MET . 5.7 p-10 -60.03 101.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.88 -24.88 2.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.1 m -67.92 -172.83 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 81' ' ' ARG . 22.7 ttm105 -134.13 144.07 48.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.798 ' HB ' HD13 ' A' ' 12' ' ' ILE . 9.2 mm -120.47 104.29 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -88.69 107.57 19.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.629 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.472 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 95.7 t -85.49 119.34 33.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 57.2 mt -87.79 102.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.19 101.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -97.04 17.56 16.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.54 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.5 p -119.4 94.73 4.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -136.94 115.05 1.2 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.77 143.29 51.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 147.21 -144.36 12.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 142.23 27.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.432 1.754 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.2 t -140.25 114.45 9.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.19 112.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.23 91.22 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.023 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 p -140.63 157.47 45.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.98 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.65 121.85 0.59 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -111.62 116.19 30.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 m 55.92 168.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.948 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.51 169.34 36.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.45 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -133.72 122.7 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.344 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.0 mtt -75.98 115.24 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.2 m -115.32 149.55 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -92.33 104.54 16.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.461 HD12 ' CD2' ' A' ' 38' ' ' LEU . 5.8 mm -83.98 147.28 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.35 127.76 6.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.5 p -127.25 148.28 50.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -24.68 67.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.051 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mt -64.82 -49.83 69.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -93.43 132.63 37.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -87.41 52.18 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -170.87 178.47 3.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.51 149.47 23.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.76 127.16 54.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -98.84 97.99 9.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 28.0 mmtt -112.23 -179.46 3.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 3.9 ttt180 -138.6 140.86 39.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 12.2 m-85 -153.04 161.57 42.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 t -91.56 148.46 22.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' HG2' HG21 ' A' ' 8' ' ' VAL . 8.2 mtm180 -71.63 -4.77 29.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.3 m -94.97 -13.71 25.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 29' ' ' LEU . 8.0 mt -64.59 121.17 13.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.659 HG22 ' CD2' ' A' ' 70' ' ' LEU . 30.2 p -66.97 135.64 54.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.627 HG22 ' HE3' ' A' ' 35' ' ' LYS . 46.8 mm -36.46 -39.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.604 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -62.69 -56.35 18.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' THR . 7.6 mm-40 -59.46 -48.63 80.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -42.25 -50.79 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.719 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 11.9 mttm -60.56 -46.94 88.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -44.1 -33.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 108.31 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -73.24 -46.74 48.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.509 ' O ' HG22 ' A' ' 42' ' ' VAL . 20.2 mt -59.02 -32.05 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.603 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 59.2 mt-10 -48.7 -28.15 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -93.41 -25.38 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' LEU . 24.3 t -73.38 -58.8 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.0 m -81.06 -32.28 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 90.95 2.6 71.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -101.91 172.24 4.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.003 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.61 21.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.719 ' HB1' ' CB ' ' A' ' 35' ' ' LYS . . . -73.39 -20.43 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.34 4.41 17.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 79.4 m -125.84 -62.35 1.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 108.33 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.485 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 5.6 ptp -50.06 143.37 8.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.699 ' C ' HD23 ' A' ' 51' ' ' LEU . 2.8 tp10 -110.96 154.56 23.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.699 HD23 ' C ' ' A' ' 50' ' ' GLU . 8.5 mt -116.23 155.47 28.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 17.5 mt-10 -147.38 146.0 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.022 HD13 HG23 ' A' ' 76' ' ' VAL . 12.6 tp -106.5 102.43 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 52.3 m-85 -98.83 150.85 21.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . -59.67 -119.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.11 -69.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 1.4 m-20 -60.76 -48.07 83.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 1.5 m-20 156.66 70.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.2 mttt -124.75 101.11 6.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 18.9 t80 -58.6 141.84 51.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' LEU . 3.9 m-30 -115.5 -82.58 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.1 m -122.96 164.04 19.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HG2' ' CZ ' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -100.91 134.67 43.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.5 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -85.83 50.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -42.67 68.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.571 ' HB3' ' HB2' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -56.7 118.8 5.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.604 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 3.3 pt-20 -86.59 -36.61 18.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.433 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 50.7 t0 -69.28 -8.25 44.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.571 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -76.27 173.9 10.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.659 ' CD2' HG22 ' A' ' 30' ' ' THR . 5.0 mt -134.47 153.11 52.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.439 ' CD2' HG11 ' A' ' 76' ' ' VAL . 1.5 mt -68.38 101.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.85 -48.65 0.53 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.97 -23.94 14.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -89.45 166.16 22.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.781 ' O ' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 54.34 3.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.516 1.798 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.022 HG23 HD13 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -118.57 174.22 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.44 ' H ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER 178.95 167.74 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' HB3' HG12 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -59.83 100.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.27 -17.24 3.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.8 m -65.81 -173.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -133.95 134.34 42.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.461 ' HB ' HD13 ' A' ' 12' ' ' ILE . 30.5 mm -115.82 102.54 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -82.66 112.14 19.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.597 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.485 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 38.6 t -87.79 94.88 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.6 mt -68.75 102.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.38 100.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -96.98 12.01 33.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.619 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.5 t -96.87 -62.35 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.972 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.04 -127.2 9.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.084 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.1 t -84.41 -61.33 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.004 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -169.72 162.16 35.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.63 10.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.95 167.99 11.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.975 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 t 72.95 -64.92 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -159.76 164.08 34.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.7 168.19 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.45 80.41 0.66 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.552 1.157 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.65 127.6 32.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.975 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -178.83 99.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.026 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.78 -150.34 13.14 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.563 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -145.44 127.06 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -73.27 101.52 3.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.6 m -117.21 143.6 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -92.54 104.56 16.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.91 HD13 ' HB ' ' A' ' 82' ' ' ILE . 8.2 mm -84.34 148.01 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 p -153.74 167.06 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.449 ' CB ' HG12 ' A' ' 42' ' ' VAL . 23.3 p -161.93 159.04 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 t -72.7 -17.96 61.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.689 HD11 ' OD1' ' A' ' 86' ' ' ASP . 1.4 mt -71.96 -54.09 11.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -84.12 -29.25 26.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER 76.1 -60.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.6 169.44 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.05 146.77 24.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -113.96 167.89 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -122.87 100.1 6.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -128.4 173.3 10.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.519 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -133.6 152.89 51.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.331 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 26.1 m-85 -155.52 151.39 27.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' LEU . 22.9 t -82.29 122.89 28.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.563 ' HG2' HG21 ' A' ' 8' ' ' VAL . 7.2 mtt180 -43.83 -25.99 0.23 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 26' ' ' SER . 15.6 m -64.36 -40.59 96.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' SER . 9.6 mt -40.02 121.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.611 HG22 ' CD2' ' A' ' 70' ' ' LEU . 66.6 p -73.5 138.78 45.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' THR . 31.5 mm -35.62 -44.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -60.51 -56.51 20.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.088 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -59.98 -48.04 83.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CE2' HD11 ' A' ' 71' ' ' LEU . 1.4 t80 -43.06 -48.39 6.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -61.93 -48.5 80.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' LYS . 1.3 t -40.97 -35.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 108.307 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -73.61 -51.2 17.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.932 ' CD1' HD21 ' A' ' 51' ' ' LEU . 34.3 mt -51.14 -32.15 22.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.499 ' OE2' ' CB ' ' A' ' 46' ' ' ALA . 80.5 mt-10 -48.39 -27.58 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.702 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -92.52 -26.94 17.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' LEU . 55.5 t -70.12 -45.56 75.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -95.01 -32.89 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 90.36 22.14 35.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -125.32 171.36 7.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.35 22.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.499 ' CB ' ' OE2' ' A' ' 39' ' ' GLU . . . -63.12 -19.13 64.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -5.56 58.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' HIS . 76.4 m -127.66 30.65 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.422 ' HE2' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -148.51 137.25 21.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 111.03 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -105.68 173.02 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.932 HD21 ' CD1' ' A' ' 38' ' ' LEU . 92.9 mt -124.43 165.84 17.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 21.7 mt-10 -158.38 137.53 11.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.566 HD13 ' CG2' ' A' ' 76' ' ' VAL . 15.7 tp -111.02 103.46 11.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.455 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 64.1 m-85 -100.32 137.42 38.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.05 -140.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.8 -73.63 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 58' ' ' ASP . 6.6 t0 -74.48 58.0 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' OD1' ' CD2' ' A' ' 54' ' ' TYR . 21.9 t0 39.41 76.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -128.61 98.51 5.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -50.07 138.21 16.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -116.3 -72.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 m -135.19 173.7 11.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.97 127.97 54.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.503 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -84.36 68.76 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.66 -46.5 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.455 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 3.8 tp-100 -43.81 108.97 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.538 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -73.87 -35.67 64.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.06 -11.85 60.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -80.6 150.77 29.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.611 ' CD2' HG22 ' A' ' 30' ' ' THR . 55.6 mt -109.48 132.63 53.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -53.22 101.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.86 -51.53 0.47 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 p -45.73 -28.18 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.018 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.49 ' CD2' HD12 ' A' ' 64' ' ' LEU . 49.0 m-85 -79.13 165.53 48.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.413 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.95 56.03 4.1 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.566 ' CG2' HD13 ' A' ' 53' ' ' LEU . 7.4 p -121.11 163.83 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.64 169.11 6.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 9' ' ' MET . 5.5 p-10 -56.59 104.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 134.16 -20.28 4.02 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.432 ' CB ' HG23 ' A' ' 76' ' ' VAL . 1.3 m -64.74 -171.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -135.64 138.85 43.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.91 ' HB ' HD13 ' A' ' 12' ' ' ILE . 21.7 mm -119.61 99.75 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -86.38 120.14 27.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.609 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.486 HG22 HD13 ' A' ' 38' ' ' LEU . 98.8 t -95.43 108.18 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.1 mt -79.55 102.6 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.689 ' OD1' HD11 ' A' ' 16' ' ' LEU . 31.3 t70 -54.58 104.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.2 m-70 -102.04 28.51 5.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.615 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 p -117.67 71.78 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -74.57 -95.46 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.74 129.4 4.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 170.79 157.57 13.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.53 14.36 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.5 t -132.03 -58.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.3 m 63.55 154.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -169.63 131.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.64 -61.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.58 -64.29 0.64 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.57 139.72 19.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.748 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -158.29 100.11 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.88 165.4 24.35 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.627 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -128.78 128.04 67.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.0 mtm -79.63 120.2 23.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.82 150.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -91.92 103.79 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.808 HD13 ' HB ' ' A' ' 82' ' ' ILE . 6.3 mm -83.88 135.45 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.84 170.51 13.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 p -167.72 129.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.039 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.93 -22.95 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 86' ' ' ASP . 1.1 mt -67.24 -58.69 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -72.11 154.57 41.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -55.85 4.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.044 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -96.56 -176.66 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -95.79 164.76 12.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -116.33 166.6 11.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -123.15 98.59 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -120.42 175.13 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -138.45 144.63 40.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -147.06 157.46 43.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -82.74 147.21 28.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.627 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.7 mtt180 -72.28 -3.67 25.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.92 -9.99 23.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.0 mt -67.65 111.13 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.866 HG22 ' CD2' ' A' ' 70' ' ' LEU . 72.8 p -59.18 133.72 56.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' THR . 39.2 mm -36.2 -46.1 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -55.95 -54.65 42.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.2 mm-40 -59.03 -53.24 60.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.79 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.5 t80 -41.64 -47.92 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.845 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -58.56 -40.31 82.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -53.65 -33.95 56.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 108.288 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 8.5 mptt -74.54 -38.23 62.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.79 HD21 ' CE1' ' A' ' 34' ' ' PHE . 15.4 mt -68.77 -32.0 71.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.805 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 29.4 mt-10 -41.66 -35.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.1 mt -88.89 -44.61 10.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -46.07 -38.24 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -111.13 -15.39 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 70.05 20.66 76.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.962 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -115.73 173.95 2.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 0.0 109.986 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.06 130.87 13.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.797 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.845 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -75.77 -14.52 60.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.67 2.86 35.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 m -124.31 -63.11 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.473 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.4 ptp -46.6 149.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -109.87 162.74 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.776 HD21 HD12 ' A' ' 38' ' ' LEU . 35.5 mt -116.85 146.91 42.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -138.95 130.65 27.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.719 ' HB2' HD21 ' A' ' 64' ' ' LEU . 15.8 tp -106.12 102.14 11.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -97.3 146.93 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.14 -131.88 0.09 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.76 -71.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ASP . 10.5 t0 -73.35 58.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER 38.06 61.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.03 110.58 19.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -58.84 133.51 56.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -112.26 -72.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.09 169.97 16.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' C ' HD13 ' A' ' 64' ' ' LEU . 3.1 mmtp -105.3 135.9 45.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.719 HD21 ' HB2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -90.81 64.4 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.36 -43.83 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.84 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 6.2 tp60 -46.97 113.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.559 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -77.39 -36.47 53.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -8.31 53.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.84 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -80.19 172.05 14.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.866 ' CD2' HG22 ' A' ' 30' ' ' THR . 3.3 mt -141.04 149.03 41.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 71' ' ' LEU . 1.4 mt -59.55 113.8 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.412 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 136.76 -56.25 0.69 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.8 -26.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.448 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 39.7 m-85 -88.4 168.5 16.05 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.03 55.4 3.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.653 HG22 ' H ' ' A' ' 77' ' ' ASP . 5.9 p -103.15 176.42 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.653 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.3 p30 -178.57 144.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -51.05 97.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.72 -13.73 3.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.9 -169.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -137.07 133.05 34.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.228 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.808 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.6 mm -113.54 102.2 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -90.25 111.0 22.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.473 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 63.8 t -88.35 120.35 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 72.7 mt -91.88 102.77 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.475 ' HB2' HD11 ' A' ' 16' ' ' LEU . 1.2 t70 -58.98 106.63 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -98.96 6.83 46.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.607 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 82.8 p -112.94 76.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.47 82.42 0.3 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.74 146.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -48.94 166.58 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.94 19.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.1 t -135.71 170.29 16.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.0 p -143.12 -85.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.4 p -53.2 138.74 31.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -42.45 -60.77 1.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.74 -71.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -121.68 153.99 37.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 p -105.19 173.21 6.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.019 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.29 162.9 13.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.74 134.0 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.2 mtp -91.34 111.47 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m -118.73 147.78 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -92.11 102.53 15.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.776 HD13 ' HB ' ' A' ' 82' ' ' ILE . 9.1 mm -84.33 149.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.6 t -149.09 -176.34 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.463 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 57.2 p -173.24 160.07 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.77 -10.98 59.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 86' ' ' ASP . 1.5 mt -79.16 -56.31 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 18' ' ' SER . 1.5 m-80 -83.91 -31.24 25.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER 78.58 -60.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.998 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -60.59 157.01 15.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -85.95 148.26 25.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -114.85 172.11 7.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.036 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.46 98.97 6.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' HE3' HG22 ' A' ' 41' ' ' VAL . 4.3 mmtt -123.09 172.81 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -138.86 145.06 39.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.528 ' OH ' HG21 ' A' ' 41' ' ' VAL . 42.6 m-85 -153.24 143.74 22.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.062 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.8 t -66.98 146.95 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 5.5 mtt180 -73.79 -2.56 24.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.9 m -100.62 -1.33 35.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 29' ' ' LEU . 6.8 mt -75.26 112.67 11.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.806 HG22 ' CD2' ' A' ' 70' ' ' LEU . 81.5 p -56.39 132.61 51.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.374 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.601 HD12 ' HB3' ' A' ' 64' ' ' LEU . 37.6 mm -36.89 -43.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.637 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -60.63 -54.11 49.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.6 mm-40 -60.83 -43.67 97.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.69 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.8 t80 -49.39 -46.93 48.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.589 ' NZ ' HG22 ' A' ' 31' ' ' ILE . 20.8 mttt -63.63 -44.44 93.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.98 -27.58 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -80.36 -49.07 12.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.69 HD21 ' CE1' ' A' ' 34' ' ' PHE . 14.3 mt -56.74 -27.57 59.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.47 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 28.4 mt-10 -42.27 -32.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -92.22 -35.3 13.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.528 HG21 ' OH ' ' A' ' 25' ' ' TYR . 89.0 t -56.78 -36.36 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 14' ' ' SER . 0.2 OUTLIER -112.51 -12.88 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 68.64 16.17 69.52 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.949 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -109.48 162.04 21.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 130.94 13.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . . . -63.62 -12.99 37.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.71 1.56 51.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' HIS . 82.2 m -145.24 37.62 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.453 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -147.25 134.25 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -106.7 156.07 19.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.486 HD11 ' HG2' ' A' ' 35' ' ' LYS . 14.9 mt -110.29 153.4 24.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 8.6 mt-10 -141.39 135.45 30.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.514 ' CD1' HG23 ' A' ' 76' ' ' VAL . 61.7 tp -106.79 136.36 46.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 83' ' ' HIS . 22.6 m-85 -125.19 153.9 42.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.511 ' HA3' ' CE1' ' A' ' 61' ' ' TYR . . . -73.15 -119.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.084 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.31 -69.49 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' ASP . 8.3 t70 -73.68 57.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASP . 25.9 t0 38.2 67.18 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -121.87 111.54 17.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -51.37 121.53 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.511 ' CE1' ' HA3' ' A' ' 55' ' ' GLY . 2.6 m-30 -99.37 -53.29 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.6 m -165.56 179.28 6.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.431 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -111.99 136.39 51.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.601 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -85.07 49.29 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -54.38 43.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -43.41 118.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.637 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 3.4 pt-20 -87.09 -36.13 18.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 4.3 m-20 -69.12 -18.74 64.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -67.1 171.16 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.806 ' CD2' HG22 ' A' ' 30' ' ' THR . 1.4 mt -133.35 157.54 45.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.7 mt -71.19 101.36 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 151.4 -42.26 0.73 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.86 -20.32 66.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -90.36 167.14 17.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.501 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 54.48 3.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.514 HG23 ' CD1' ' A' ' 53' ' ' LEU . 9.8 p -119.1 167.43 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.408 ' H ' HG22 ' A' ' 76' ' ' VAL . 10.1 p30 -171.58 158.35 5.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.43 96.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.38 -17.92 2.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.2 m -68.55 -170.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -132.41 145.06 50.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.776 ' HB ' HD13 ' A' ' 12' ' ' ILE . 5.8 mm -125.32 119.34 55.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 40.2 t60 -105.28 118.48 36.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.615 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.453 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 84.7 t -93.54 126.1 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 88.9 mt -95.92 102.76 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.527 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -60.59 101.09 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.0 OUTLIER -96.72 23.62 6.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.655 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 m -111.75 63.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -108.0 -110.57 3.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.7 t -129.65 126.63 38.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.45 149.43 15.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.2 37.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.9 m -113.22 134.52 54.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 77.5 p -89.51 165.29 14.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -172.92 98.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.993 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -39.39 -56.95 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.39 114.58 1.15 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m 45.65 73.06 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.961 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.99 164.35 20.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.037 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.8 153.27 19.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.452 HG21 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -135.61 130.58 50.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 0.745 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.6 mtt -83.17 119.06 24.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.6 m -126.7 148.22 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -92.1 103.39 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.781 HD13 ' HB ' ' A' ' 82' ' ' ILE . 5.5 mm -85.08 145.34 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 t -141.05 -178.02 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.7 p -173.84 132.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.413 ' CB ' ' OD1' ' A' ' 86' ' ' ASP . 0.3 OUTLIER -57.86 -24.4 57.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.57 -49.33 77.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -105.61 124.31 49.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.36 62.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 t80 179.53 160.07 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.12 155.28 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -115.03 169.43 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.939 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -122.92 98.83 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.621 ' HE3' HG22 ' A' ' 41' ' ' VAL . 7.5 mmtt -125.66 179.39 5.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 3.4 ttp180 -138.56 146.49 41.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 53.8 m-85 -149.93 141.73 23.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -66.68 145.8 55.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.955 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.452 ' CG ' HG21 ' A' ' 8' ' ' VAL . 2.7 mtm105 -73.19 -2.78 23.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.48 0.37 47.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 109.982 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.6 mt -77.2 113.19 14.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.916 HG22 ' CD2' ' A' ' 70' ' ' LEU . 81.3 p -59.75 134.7 57.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.357 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.589 HG21 ' O ' ' A' ' 66' ' ' GLN . 42.7 mm -38.07 -38.33 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -64.93 -53.99 37.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.4 mm-40 -62.73 -43.91 97.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.495 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.6 t80 -46.99 -47.28 21.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.76 ' CG ' HD11 ' A' ' 51' ' ' LEU . 35.8 mttt -62.93 -50.82 69.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.53 -32.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -73.49 -47.95 37.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.665 HD12 ' CD2' ' A' ' 51' ' ' LEU . 8.7 mt -61.08 -34.79 75.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.498 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 62.9 mt-10 -38.37 -30.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' LEU . 11.6 mt -89.83 -47.84 7.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.621 HG22 ' HE3' ' A' ' 23' ' ' LYS . 93.7 t -47.69 -31.97 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -110.47 -32.06 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 85.89 25.72 37.04 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -125.83 168.49 13.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.789 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.56 23.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.793 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.489 ' HB1' ' CB ' ' A' ' 35' ' ' LYS . . . -67.62 -9.97 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.61 -5.59 55.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' HIS . 59.1 m -128.19 27.78 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.298 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.07 142.17 26.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -113.26 162.76 15.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.76 HD11 ' CG ' ' A' ' 35' ' ' LYS . 46.5 mt -122.52 139.45 53.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.373 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -122.72 142.55 50.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.636 ' CD1' HG23 ' A' ' 76' ' ' VAL . 48.9 tp -113.52 107.97 16.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -101.91 152.58 20.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.9 -132.13 0.38 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.84 -71.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -74.42 57.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER 38.81 61.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -117.07 111.0 18.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -53.37 138.11 33.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -114.88 -69.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.8 m -146.1 176.28 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.992 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.9 140.75 48.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.605 HD12 ' CE2' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -88.21 56.58 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.83 -40.29 79.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.589 ' O ' HG21 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -65.65 130.16 42.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.575 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 4.2 pt-20 -92.92 -36.68 12.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.422 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 1.3 m-20 -67.57 -26.39 66.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -53.24 171.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.916 ' CD2' HG22 ' A' ' 30' ' ' THR . 3.7 mt -134.38 148.83 50.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 71' ' ' LEU . 1.1 mt -62.05 114.0 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 137.89 -56.03 0.67 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.88 -25.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 0.736 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.605 ' CE2' HD12 ' A' ' 64' ' ' LEU . 32.6 m-85 -86.85 169.05 15.82 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.05 55.9 4.12 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.658 HG22 ' H ' ' A' ' 77' ' ' ASP . 5.1 p -105.94 177.49 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.658 ' H ' HG22 ' A' ' 76' ' ' VAL . 20.6 m-20 -179.46 157.54 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 5.9 p-10 -59.68 97.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.27 -13.45 3.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.445 1.091 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.83 -172.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 81' ' ' ARG . 15.2 ttm105 -136.83 131.16 32.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.781 ' HB ' HD13 ' A' ' 12' ' ' ILE . 22.2 mm -113.71 99.95 9.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -91.94 128.94 37.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.576 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.471 HG22 ' CD2' ' A' ' 51' ' ' LEU . 37.3 t -95.34 137.95 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.8 mt -106.43 103.03 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.413 ' OD1' ' CB ' ' A' ' 15' ' ' SER . 5.8 p-10 -55.26 101.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.2 m-70 -102.97 28.34 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.594 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.3 p -115.55 80.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.053 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -131.25 -79.49 0.19 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.94 138.23 32.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 110.048 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' A' ' 92' ' ' PRO . . . -68.88 132.5 26.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.4 ' HD3' ' HA2' ' A' ' 91' ' ' GLY . 18.2 Cg_endo -74.97 163.93 34.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.3 p 178.52 93.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.8 t -167.14 -59.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.19 -59.19 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.5 144.07 13.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 109.966 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.44 88.45 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 m -107.52 105.11 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -120.54 -54.86 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.16 -176.0 1.72 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.427 HG21 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -139.13 132.04 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 109.302 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.3 mtt -85.94 118.48 25.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 m -125.64 149.39 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -92.06 103.32 15.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.764 HD13 ' HB ' ' A' ' 82' ' ' ILE . 7.8 mm -84.35 145.52 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.0 t -150.42 -179.31 7.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.404 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 98.3 p -170.76 155.32 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.93 -9.09 58.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.553 HD11 ' OD1' ' A' ' 86' ' ' ASP . 2.9 mt -81.55 -56.59 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -67.14 178.4 1.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.09 -56.64 2.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -104.52 175.65 5.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -83.42 160.22 21.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -114.8 170.56 8.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.977 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -122.59 98.68 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HE3' HG22 ' A' ' 41' ' ' VAL . 6.1 mmtt -123.11 175.16 6.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.537 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 1.4 ttt-85 -138.58 147.05 42.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 39.7 m-85 -152.38 147.58 26.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -73.52 146.23 45.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 71' ' ' LEU . 5.1 mtt180 -73.04 -2.69 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.77 2.61 44.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 29' ' ' LEU . 8.6 mt -80.82 118.4 22.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.652 HG22 ' CD2' ' A' ' 70' ' ' LEU . 29.1 p -64.36 133.39 52.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.632 HG22 ' HE3' ' A' ' 35' ' ' LYS . 24.3 mm -37.87 -38.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.667 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -63.36 -54.25 39.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.8 mm-40 -60.78 -53.52 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.08 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.944 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -38.7 -55.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.632 ' HE3' HG22 ' A' ' 31' ' ' ILE . 46.2 mttt -52.79 -46.08 67.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -46.63 -35.55 6.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.323 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 8.0 mptt -77.5 -40.54 42.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.944 HD21 ' CE1' ' A' ' 34' ' ' PHE . 23.4 mt -65.65 -27.91 68.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.515 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 48.7 mt-10 -44.5 -36.3 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.584 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -82.32 -38.84 23.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG22 ' HE3' ' A' ' 23' ' ' LYS . 95.8 t -55.5 -44.62 76.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -102.09 -7.57 9.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 60.24 25.02 61.88 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -122.98 168.48 11.98 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 109.952 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 133.85 16.95 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.527 1.804 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -64.5 -12.72 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.0 5.59 48.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.972 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' HIS . 35.4 m -139.74 30.11 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 108.274 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.445 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -150.66 134.34 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -102.29 171.43 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.752 HD21 ' CD1' ' A' ' 38' ' ' LEU . 82.0 mt -123.41 165.81 16.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -153.73 149.83 27.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.637 HD13 ' CG2' ' A' ' 76' ' ' VAL . 15.9 tp -116.32 101.93 9.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.56 ' CE2' ' NH2' ' A' ' 81' ' ' ARG . 8.2 m-85 -94.6 143.8 26.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' HA3' ' CG ' ' A' ' 59' ' ' LYS . . . -74.47 -132.71 0.26 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.36 -72.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -75.08 57.77 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER 39.67 65.89 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' CG ' ' HA3' ' A' ' 55' ' ' GLY . 1.6 ptmt -119.06 102.65 8.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 2.5 t80 -55.61 139.17 45.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 53' ' ' LEU . 2.4 m-30 -117.74 -54.93 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.52 177.72 9.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.431 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -118.94 128.82 54.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.607 HD12 ' CE2' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -85.61 74.52 10.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.84 -44.04 4.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.31 117.86 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.241 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.667 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -76.12 -40.62 52.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -17.42 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.04 168.68 18.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.652 ' CD2' HG22 ' A' ' 30' ' ' THR . 1.8 mt -139.82 145.62 38.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.481 ' HA ' HD23 ' A' ' 71' ' ' LEU . 1.5 mt -55.18 117.86 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 131.03 -53.17 0.81 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.76 -27.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 0.78 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CE2' HD12 ' A' ' 64' ' ' LEU . 40.3 m-85 -85.62 166.54 29.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.431 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -74.99 55.51 3.97 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.637 ' CG2' HD13 ' A' ' 53' ' ' LEU . 9.9 p -121.11 169.5 12.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.481 ' H ' HG22 ' A' ' 76' ' ' VAL . 3.7 m-20 -167.42 165.45 14.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.9 OUTLIER -61.17 101.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 141.46 -21.78 2.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.14 -172.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.56 ' NH2' ' CE2' ' A' ' 54' ' ' TYR . 32.1 ttp180 -131.81 138.6 48.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.764 ' HB ' HD13 ' A' ' 12' ' ' ILE . 4.4 mm -112.03 99.87 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -82.84 116.98 22.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.569 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.479 HG22 HD23 ' A' ' 51' ' ' LEU . 77.2 t -93.21 125.63 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 72.9 mt -95.81 102.78 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.553 ' OD1' HD11 ' A' ' 16' ' ' LEU . 36.9 t70 -60.06 106.65 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' CYS . 18.1 m-70 -104.98 30.34 5.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.7 t -109.95 82.45 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.69 -155.91 7.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m 54.55 -92.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 109.962 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -173.09 122.27 0.91 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 94.24 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.34 122.7 21.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.959 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.36 122.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.94 138.4 45.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.024 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -178.96 166.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.979 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.12 100.24 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 p -178.48 111.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m 54.37 102.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.946 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.36 -162.97 11.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.449 ' CG2' ' HG3' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -134.06 130.6 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.1 mtp -93.8 110.37 22.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 m -114.3 150.79 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -92.26 102.84 15.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.799 HD13 ' HB ' ' A' ' 82' ' ' ILE . 3.9 mm -84.09 140.42 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.5 p -150.16 165.63 32.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.472 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 22.5 p -155.07 150.82 27.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -58.03 -24.62 59.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.51 -55.42 27.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -100.68 116.56 32.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.87 70.68 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -177.18 -178.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 3.8 mpt_? -123.76 135.48 53.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -101.07 169.24 9.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -122.55 98.55 5.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -120.94 173.85 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -136.65 145.71 45.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.441 ' CE1' ' HB3' ' A' ' 37' ' ' LYS . 72.7 m-85 -154.52 151.26 28.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.8 t -71.71 144.56 49.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.449 ' HG3' ' CG2' ' A' ' 8' ' ' VAL . 13.8 mtm180 -72.89 -4.61 32.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.13 -7.32 45.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.581 HD13 ' HD3' ' A' ' 37' ' ' LYS . 9.0 mt -70.95 120.69 16.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.796 HG22 ' CD2' ' A' ' 70' ' ' LEU . 14.0 p -70.75 136.43 48.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.593 HG22 ' HE3' ' A' ' 35' ' ' LYS . 12.7 mm -36.0 -46.76 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -54.5 -54.55 39.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.5 mm-40 -62.3 -52.31 64.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.593 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.7 t80 -42.7 -51.22 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.813 ' CG ' HD11 ' A' ' 51' ' ' LEU . 25.7 mttt -54.01 -36.54 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -59.31 -34.83 72.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 108.316 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.581 ' HD3' HD13 ' A' ' 29' ' ' LEU . 2.9 mptt -71.86 -33.7 68.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.593 HD21 ' CE1' ' A' ' 34' ' ' PHE . 19.1 mt -70.95 -28.36 64.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.667 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 37.4 mt-10 -50.6 -27.93 7.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -93.07 -30.21 15.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 37' ' ' LYS . 47.0 t -66.16 -51.6 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 38' ' ' LEU . 1.6 m -92.0 -17.05 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.34 3.64 66.52 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -101.85 172.09 4.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.2 22.64 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.545 1.813 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.667 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . . . -75.39 -1.23 22.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.09 4.6 44.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 87' ' ' HIS . 69.4 m -141.48 26.43 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 49' ' ' MET . 0.4 OUTLIER -142.78 128.18 18.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.14 159.91 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.813 HD11 ' CG ' ' A' ' 35' ' ' LYS . 17.2 mt -111.39 166.08 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.529 ' O ' HD13 ' A' ' 82' ' ' ILE . 27.9 mt-10 -153.3 150.0 28.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.515 ' HB2' HD21 ' A' ' 64' ' ' LEU . 46.2 tp -123.89 126.92 47.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -116.41 154.47 30.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . -62.7 -131.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.7 -71.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 12.5 t70 -49.01 -54.61 14.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER 154.82 45.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -106.97 114.36 28.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -50.36 137.44 18.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.473 ' CE2' ' HA2' ' A' ' 55' ' ' GLY . 4.3 m-30 -114.16 -72.49 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 53' ' ' LEU . 3.7 m -143.28 172.87 12.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -110.41 135.85 50.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -88.73 74.08 8.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.5 -41.55 6.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.471 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -50.08 110.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 13.2 mt-10 -74.22 -25.59 59.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.0 0.04 46.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -92.23 160.49 15.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.796 ' CD2' HG22 ' A' ' 30' ' ' THR . 9.4 mt -126.29 147.42 49.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 71' ' ' LEU . 1.3 mt -60.05 112.72 1.99 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 138.9 -56.95 0.63 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.63 -26.16 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.469 ' CD2' HD12 ' A' ' 64' ' ' LEU . 36.5 m-85 -87.16 168.49 17.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.97 55.23 3.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.561 HG22 ' H ' ' A' ' 77' ' ' ASP . 6.3 p -102.78 172.33 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.561 ' H ' HG22 ' A' ' 76' ' ' VAL . 7.1 p-10 -177.86 147.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -49.42 101.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 132.75 -7.93 5.22 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.0 p -58.22 -162.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -152.29 113.55 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.799 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.9 mm -94.16 107.24 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -91.73 102.21 14.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.616 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.448 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 91.6 t -78.29 120.95 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.404 HD11 ' CD ' ' A' ' 52' ' ' GLU . 58.4 mt -93.35 102.86 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.7 104.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.0 OUTLIER -103.62 29.51 5.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.609 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.13 -59.85 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -43.95 -76.53 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.62 105.16 13.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 0.715 . . . . 0.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 176.8 -174.74 47.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 174.85 12.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.1 m -113.51 150.24 33.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.8 t -102.53 157.96 16.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -108.58 99.86 9.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.05 89.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.06 -124.89 2.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.128 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.53 125.27 15.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.72 86.52 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.961 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.29 -163.03 33.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.427 ' CG2' ' HG3' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -143.62 134.58 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' GLY . 2.0 mtp -93.55 118.12 30.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.69 151.88 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -92.01 102.53 15.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.915 HD13 ' HB ' ' A' ' 82' ' ' ILE . 4.9 mm -84.17 131.52 33.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 0.0 109.352 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 p -130.13 175.73 8.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.448 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 52.4 p -159.61 143.47 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -17.08 64.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.844 HD11 ' OD1' ' A' ' 86' ' ' ASP . 2.6 mt -75.22 -58.75 3.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -87.05 119.8 27.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.2 m -74.3 64.09 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 t80 178.85 160.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -102.66 149.16 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -112.12 168.82 9.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -123.0 98.94 6.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HE3' HG22 ' A' ' 41' ' ' VAL . 3.6 mmtt -123.9 175.82 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -138.53 145.21 40.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.468 ' OH ' HG21 ' A' ' 41' ' ' VAL . 30.4 m-85 -147.0 148.71 31.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 t -70.51 144.97 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 71' ' ' LEU . 9.7 mtt180 -75.46 -0.48 20.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.36 2.72 31.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.5 mt -77.8 122.86 25.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.59 HG22 ' CD2' ' A' ' 70' ' ' LEU . 40.1 p -64.55 129.03 38.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.616 HG21 ' O ' ' A' ' 66' ' ' GLN . 47.1 mm -35.67 -40.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -62.05 -56.87 14.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.2 mm-40 -57.79 -45.98 85.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 1.006 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.6 t80 -47.92 -51.49 23.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.641 ' CG ' HD11 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -55.47 -37.17 67.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.32 -30.36 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -75.64 -31.5 59.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.006 HD21 ' CE1' ' A' ' 34' ' ' PHE . 15.0 mt -76.96 -27.11 54.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.632 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 34.0 mt-10 -45.81 -35.92 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.07 -30.01 20.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.512 HG11 HG21 ' A' ' 12' ' ' ILE . 85.1 t -60.29 -41.9 88.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -106.92 -18.83 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 80.08 2.76 89.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -99.14 165.72 14.33 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 109.97 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.62 16.75 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.632 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . . . -68.41 -21.19 64.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 59.7 p -77.91 0.56 23.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' HIS . 66.3 m -140.11 29.49 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.444 ' SD ' HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -146.42 127.9 15.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.979 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.23 173.45 7.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.763 HD21 HD12 ' A' ' 38' ' ' LEU . 85.1 mt -125.23 152.99 43.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.425 ' O ' HD13 ' A' ' 82' ' ' ILE . 2.0 mt-10 -137.81 145.16 41.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.5 tp -119.49 111.99 18.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -106.62 151.51 24.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.49 -133.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.66 -71.83 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -55.71 -50.74 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 1.6 p30 155.02 47.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -98.81 115.33 28.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.9 128.09 35.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -106.72 -61.93 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.59 171.72 17.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.43 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -114.7 128.04 56.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.605 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -69.2 65.56 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 63' ' ' LYS . 2.4 t70 -73.04 -53.55 10.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.616 ' O ' HG21 ' A' ' 31' ' ' ILE . 7.3 tp60 -45.13 138.14 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 14.9 mt-10 -98.55 -38.78 9.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -11.39 60.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -66.59 168.9 8.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.59 ' CD2' HG22 ' A' ' 30' ' ' THR . 5.6 mt -132.28 150.31 52.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 27' ' ' ARG . 1.6 mt -67.55 101.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.7 -42.59 0.67 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.105 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -16.25 25.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.553 ' CE2' HD12 ' A' ' 64' ' ' LEU . 53.4 m-85 -98.97 165.31 15.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 57.4 4.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 111.042 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.441 HG23 ' SG ' ' A' ' 80' ' ' CYS . 9.3 p -109.29 154.26 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -150.26 165.08 34.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.78 98.28 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 136.41 -9.82 4.07 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' A' ' 76' ' ' VAL . 11.8 p -57.34 -165.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 81' ' ' ARG . 22.3 ttm105 -143.64 111.12 5.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.915 ' HB ' HD13 ' A' ' 12' ' ' ILE . 6.4 mm -98.05 105.32 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -92.58 126.25 37.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.635 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.444 HG13 ' SD ' ' A' ' 49' ' ' MET . 20.0 t -90.83 120.3 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.3 mt -88.67 102.73 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.844 ' OD1' HD11 ' A' ' 16' ' ' LEU . 11.6 t0 -58.8 100.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.5 m-70 -101.03 28.64 5.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.7 p -123.82 84.81 2.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -150.64 68.2 0.33 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.2 m 62.52 116.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 110.033 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.34 -100.36 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 176.79 9.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 m -102.42 -59.6 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.2 t 60.95 122.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -149.5 -57.49 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 110.033 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -162.33 136.52 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.48 98.13 0.19 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.14 102.4 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m 60.01 89.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.13 -151.82 26.07 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.442 ' CG2' ' HG3' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -145.59 139.63 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.1 ttm -92.72 122.93 35.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.639 HG12 ' SG ' ' A' ' 80' ' ' CYS . 32.7 m -130.22 143.07 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -91.87 104.28 16.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.546 HG21 HG11 ' A' ' 41' ' ' VAL . 19.8 mm -84.16 135.5 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.6 p -146.67 144.08 29.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.99 158.51 43.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.64 19.1 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 86' ' ' ASP . 6.7 mt -93.01 -65.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -101.6 133.66 45.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -71.0 74.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -174.32 160.11 3.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -99.27 163.53 12.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -126.29 127.83 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.046 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -110.67 99.05 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -126.65 -179.42 4.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -136.83 143.16 42.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -138.82 -178.74 5.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.593 ' H ' HD12 ' A' ' 29' ' ' LEU . 23.3 t -105.32 145.69 30.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.442 ' HG3' ' CG2' ' A' ' 8' ' ' VAL . 30.9 mtm180 -75.35 -4.45 39.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.1 m -102.85 4.18 37.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.593 HD12 ' H ' ' A' ' 26' ' ' SER . 6.5 mt -80.0 124.56 28.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.569 ' HA ' HD23 ' A' ' 70' ' ' LEU . 63.1 p -65.61 128.82 37.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.814 HG22 ' HE3' ' A' ' 35' ' ' LYS . 48.0 mm -35.2 -43.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -57.64 -57.47 12.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.8 mm-40 -56.76 -53.16 60.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -40.73 -45.8 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.814 ' HE3' HG22 ' A' ' 31' ' ' ILE . 20.2 mttt -60.9 -45.75 93.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.4 t -48.97 -36.82 18.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.268 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' NZ ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.56 -38.47 77.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.475 ' O ' HG22 ' A' ' 42' ' ' VAL . 40.1 mt -67.11 -37.96 84.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.731 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 34.0 mt-10 -39.19 -34.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.5 mt -88.52 -41.83 12.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.546 HG11 HG21 ' A' ' 12' ' ' ILE . 90.8 t -49.88 -40.93 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -103.77 -32.42 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 90.75 15.26 56.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.443 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -114.5 175.11 2.0 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.974 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.04 138.11 22.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.451 1.764 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.806 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -78.96 -20.02 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.85 5.58 18.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.6 m -123.66 -58.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.312 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.569 ' SD ' HG13 ' A' ' 84' ' ' VAL . 7.6 ptp -55.05 149.31 12.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.496 ' C ' HD23 ' A' ' 51' ' ' LEU . 6.6 tp10 -108.51 157.06 18.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.748 HD11 ' CG ' ' A' ' 35' ' ' LYS . 6.4 mt -107.52 157.74 17.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 21.5 mt-10 -153.16 138.3 17.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 76' ' ' VAL . 59.6 tp -112.25 111.45 22.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 68.2 m-85 -106.26 144.31 33.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.927 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.36 -122.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.65 -70.26 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 0.777 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ASP . 61.4 t0 -73.73 58.07 0.61 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 7.2 t0 38.34 55.45 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -108.74 112.73 25.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -58.94 135.71 57.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -111.11 -70.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.0 t -142.43 177.15 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.96 129.8 55.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.513 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -82.6 61.41 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.63 -50.5 6.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.885 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 2.9 tp-100 -41.33 107.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 2.2 mt-10 -76.05 -27.43 57.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.39 6.12 24.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.885 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -93.89 166.95 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 30' ' ' THR . 8.2 mt -129.84 151.85 49.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 71' ' ' LEU . 1.2 mt -64.61 109.78 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 142.75 -56.68 0.57 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.0 -25.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.441 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 31.8 m-85 -86.16 169.4 15.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.02 55.23 3.89 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.538 HG22 ' H ' ' A' ' 77' ' ' ASP . 5.8 p -107.23 171.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.538 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.6 p30 -174.98 144.55 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.1 111.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 80' ' ' CYS . . . 119.58 -5.99 12.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.097 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.639 ' SG ' HG12 ' A' ' 10' ' ' VAL . 9.2 p -55.81 -168.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -148.99 111.42 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.503 ' HB ' HD13 ' A' ' 12' ' ' ILE . 5.2 mm -99.46 116.48 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -96.95 130.04 44.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.569 HG13 ' SD ' ' A' ' 49' ' ' MET . 78.1 t -101.82 112.57 35.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.492 HD12 ' HB3' ' A' ' 50' ' ' GLU . 64.5 mt -82.48 103.03 9.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.43 ' HB3' HD21 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -54.38 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -101.65 21.34 14.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.561 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 t -85.8 62.62 7.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -84.22 80.54 1.82 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.2 t 62.99 117.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.982 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -150.05 112.72 0.56 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.39 18.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.9 p -156.11 155.36 32.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.4 p -129.83 163.01 27.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.947 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.965 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -167.23 -57.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.968 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.6 m -103.09 -60.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.53 -105.17 0.23 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -165.03 -67.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -172.79 170.32 4.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.39 -155.95 24.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.512 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -141.09 129.07 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 109.312 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.5 mtt -81.82 114.69 20.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.2 m -122.59 152.59 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -91.81 102.76 15.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.631 HD13 ' HB ' ' A' ' 82' ' ' ILE . 9.7 mm -84.82 130.73 35.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.438 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -131.66 175.76 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.986 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.443 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 1.6 p -170.15 148.2 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -21.83 66.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 86' ' ' ASP . 3.3 mt -67.14 -50.15 62.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -77.84 166.95 22.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 t -92.08 -41.89 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.6 -166.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.438 ' CG ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -99.83 159.81 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.367 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -111.46 168.98 9.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.65 98.48 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -122.32 173.7 7.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.19 147.53 43.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -153.45 142.73 21.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.2 t -69.47 148.44 49.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.512 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.7 mtt180 -73.26 -2.48 22.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.348 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.1 p -100.13 -5.12 28.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 29' ' ' LEU . 6.7 mt -71.4 114.0 9.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.786 HG22 ' CD2' ' A' ' 70' ' ' LEU . 72.4 p -58.92 134.42 56.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.573 HG21 ' O ' ' A' ' 66' ' ' GLN . 44.1 mm -37.42 -42.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -59.89 -54.34 47.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.7 mm-40 -62.4 -42.74 99.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.8 t80 -49.19 -44.64 43.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' CG ' HD11 ' A' ' 51' ' ' LEU . 3.6 mttm -66.32 -46.37 77.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -28.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.675 ' O ' HD22 ' A' ' 40' ' ' LEU . 19.0 mmtt -79.11 -50.94 10.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.83 HD12 HD21 ' A' ' 51' ' ' LEU . 17.8 mt -55.25 -27.06 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' GLY . 82.3 mt-10 -44.65 -57.44 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.817 HD13 ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -66.16 -40.3 90.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.6 t -49.07 -63.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.2 m -82.65 -8.78 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . 65.43 27.03 72.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -125.69 167.59 16.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.966 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 138.5 22.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' CB ' ' OE2' ' A' ' 39' ' ' GLU . . . -62.2 -17.0 56.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.59 2.19 49.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 87' ' ' HIS . 63.6 m -137.27 38.01 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.436 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -153.08 137.8 16.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 111.018 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.75 159.89 16.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.83 HD21 HD12 ' A' ' 38' ' ' LEU . 18.7 mt -114.0 149.97 34.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -143.37 139.71 30.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.337 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.557 ' CD1' HG23 ' A' ' 76' ' ' VAL . 38.1 tp -112.32 116.98 31.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -107.72 154.1 21.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . -65.0 -124.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.161 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.69 -70.4 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -54.12 -52.06 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER 155.46 46.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 55' ' ' GLY . 22.8 tttt -102.56 114.1 28.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -59.87 136.56 58.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -109.47 -70.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.1 t -146.66 -176.91 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.7 mttp -116.53 142.56 46.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.511 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -91.11 59.71 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -71.99 -54.48 9.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.573 ' O ' HG21 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -43.27 126.42 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.632 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 3.2 pt-20 -93.74 -36.64 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -69.62 -8.61 49.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -75.48 177.5 6.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.786 ' CD2' HG22 ' A' ' 30' ' ' THR . 2.6 mt -139.26 155.64 47.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.358 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 27' ' ' ARG . 1.9 mt -70.21 105.32 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 147.69 -45.61 0.74 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.5 -22.27 42.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 110.008 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -91.57 165.76 20.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.557 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.02 55.3 3.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.557 HG23 ' CD1' ' A' ' 53' ' ' LEU . 8.9 p -119.08 168.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.438 ' H ' HG22 ' A' ' 76' ' ' VAL . 20.4 m-20 -170.98 166.46 7.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 9' ' ' MET . 1.1 p-10 -62.42 102.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 138.51 -25.51 2.85 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.6 -170.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -136.13 121.0 18.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.631 ' HB ' HD13 ' A' ' 12' ' ' ILE . 19.1 mm -107.69 105.52 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -86.89 140.69 29.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.549 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.436 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 31.7 t -112.67 106.07 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.365 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.7 mt -78.46 102.77 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.598 ' HB3' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.03 97.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 48' ' ' CYS . 0.4 OUTLIER -92.86 21.22 5.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.602 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.03 25.97 11.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.97 67.82 0.28 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.54 93.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 110.042 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.97 96.38 0.19 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.89 5.84 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t 65.51 156.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 t -149.5 -58.9 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.459 1.1 . . . . 0.0 111.013 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 p -143.54 144.74 32.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.739 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.12 157.42 16.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.12 -77.25 0.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.87 97.77 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.48 158.82 3.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.23 -140.9 6.68 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.555 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -143.94 137.65 24.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 0.794 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 ttm -93.49 111.98 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 m -122.8 143.73 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -92.37 105.18 17.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.768 HD13 ' HB ' ' A' ' 82' ' ' ILE . 8.8 mm -83.58 133.39 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.72 165.37 26.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.0 p -165.06 153.87 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.003 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -7.62 50.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.852 HD11 ' HB3' ' A' ' 86' ' ' ASP . 0.4 OUTLIER -88.8 -45.82 9.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.89 -27.22 25.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m 70.75 -66.62 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.04 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -58.81 174.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 143.16 26.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.7 OUTLIER -107.34 142.38 37.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -113.89 98.83 7.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HE3' HG22 ' A' ' 41' ' ' VAL . 1.5 mmtm -127.57 -179.28 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 ttt-85 -138.41 146.41 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.569 ' OH ' HG21 ' A' ' 41' ' ' VAL . 87.5 m-85 -149.08 178.21 8.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 t -102.71 147.7 26.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.555 ' HG2' HG21 ' A' ' 8' ' ' VAL . 5.7 mtp180 -74.96 -1.3 21.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.82 -7.48 23.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.3 mt -67.35 109.49 3.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.716 HG22 ' CD2' ' A' ' 70' ' ' LEU . 43.6 p -56.13 133.43 52.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' A' ' 64' ' ' LEU . 44.7 mm -36.62 -42.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.843 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -61.87 -54.81 36.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.8 mm-40 -59.68 -44.02 93.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.935 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.5 t80 -48.41 -46.24 37.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.709 ' CG ' HD11 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -61.63 -49.92 74.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.72 -29.36 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.356 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -77.26 -51.14 11.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.935 HD21 ' CE1' ' A' ' 34' ' ' PHE . 17.5 mt -53.63 -28.45 32.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.538 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 31.7 mt-10 -47.41 -31.59 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.247 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -92.25 -25.95 18.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.662 HG11 HG21 ' A' ' 12' ' ' ILE . 44.9 t -71.06 -42.07 76.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -103.12 -8.43 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.94 21.25 60.98 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.456 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -118.68 168.88 8.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.933 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 136.19 20.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.553 1.817 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . . . -71.66 -5.77 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.75 4.7 52.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' HIS . 57.7 m -144.11 33.33 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.308 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.443 ' SD ' HG11 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -148.4 129.95 14.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -96.83 159.14 15.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.724 HD21 HD12 ' A' ' 38' ' ' LEU . 39.5 mt -115.37 141.55 47.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.553 ' CD ' HD11 ' A' ' 85' ' ' ILE . 9.4 mt-10 -132.87 148.48 52.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.703 HD21 ' O ' ' A' ' 75' ' ' PRO . 18.3 tp -119.22 107.73 13.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -101.2 154.53 18.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.16 -120.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.74 -69.59 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.746 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 4.1 m-20 -63.57 -47.49 81.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 2.7 t70 159.11 72.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -127.03 95.11 4.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -53.77 138.8 34.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -114.65 -78.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.14 171.06 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -108.64 132.93 53.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.587 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -76.96 57.12 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -66.58 -52.6 43.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.549 ' O ' HG21 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -52.22 123.71 11.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.843 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 3.7 pt-20 -89.26 -35.77 15.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.441 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -67.11 -15.27 63.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.541 ' HB3' HG13 ' A' ' 31' ' ' ILE . . . -70.03 173.81 6.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.716 ' CD2' HG22 ' A' ' 30' ' ' THR . 0.7 OUTLIER -135.81 160.88 37.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 27' ' ' ARG . 2.1 mt -75.12 104.79 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 148.14 -44.52 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -15.79 59.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 110.028 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CE2' HD12 ' A' ' 64' ' ' LEU . 20.3 m-85 -94.11 168.42 11.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.703 ' O ' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 54.43 3.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.588 HG23 ' CD1' ' A' ' 53' ' ' LEU . 8.9 p -122.96 168.3 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.439 ' H ' HG22 ' A' ' 76' ' ' VAL . 27.3 t0 -174.96 164.15 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -51.89 117.56 2.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 117.01 -24.9 9.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.6 m -55.62 -172.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -137.57 142.31 41.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.768 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.7 mm -121.15 102.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -89.94 119.29 30.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.603 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.443 HG11 ' SD ' ' A' ' 49' ' ' MET . 58.6 t -94.04 126.66 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.553 HD11 ' CD ' ' A' ' 52' ' ' GLU . 35.4 mt -96.93 103.82 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.852 ' HB3' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -57.24 106.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.4 m-70 -104.3 24.06 12.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.631 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.5 -56.19 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 109.981 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 90' ' ' SER . . . -63.71 110.06 3.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 89' ' ' GLY . 3.5 t 81.91 100.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 0.733 . . . . 0.0 109.992 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 152.04 113.97 0.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 119.04 5.49 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.06 138.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.42 -57.96 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.486 1.117 . . . . 0.0 110.991 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -157.38 105.62 2.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.787 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 45.76 78.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.052 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.22 -77.67 0.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 7' ' ' GLY . 3.0 m -67.41 -42.6 82.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 0.778 . . . . 0.0 110.02 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.44 -82.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -174.78 -141.42 3.64 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.66 131.58 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.2 mtt -89.74 112.66 24.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.1 m -120.46 153.72 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -91.95 103.38 15.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.803 HD13 ' HB ' ' A' ' 82' ' ' ILE . 12.0 mm -85.65 139.38 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.465 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 94.2 p -140.24 177.88 7.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.52 ' HB3' HG12 ' A' ' 42' ' ' VAL . 21.8 p -163.84 137.24 5.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -24.23 67.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 86' ' ' ASP . 1.3 mt -63.08 -50.08 71.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -99.0 127.39 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.01 60.11 1.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 179.54 161.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -105.93 163.71 12.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.27 173.04 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -122.11 98.01 5.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 10.1 mmtt -113.85 177.1 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 5.2 ttt-85 -138.51 146.86 42.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.56 ' OH ' HG21 ' A' ' 41' ' ' VAL . 35.0 m-85 -153.76 148.47 26.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.9 t -73.99 146.93 43.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 6.5 mtt180 -74.76 -1.66 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 m -103.09 -0.39 30.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.072 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.1 mt -74.38 120.66 20.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' GLU . 62.1 p -64.11 131.02 46.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.479 ' CG2' ' HE3' ' A' ' 35' ' ' LYS . 49.1 mm -37.64 -42.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -59.55 -53.21 60.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.2 mm-40 -61.39 -54.71 40.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.884 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.6 t80 -37.34 -58.21 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.623 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 71.9 mttt -50.17 -44.56 52.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.4 t -54.04 -37.7 64.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -70.21 -31.71 69.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.884 HD21 ' CE1' ' A' ' 34' ' ' PHE . 25.6 mt -74.96 -28.33 60.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 44' ' ' SER . 74.3 mt-10 -48.82 -26.88 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.645 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -93.49 -25.86 17.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.56 HG21 ' OH ' ' A' ' 25' ' ' TYR . 32.9 t -72.79 -47.75 48.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.701 HG11 HG11 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -92.92 -32.48 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 93.81 -6.95 73.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -95.36 162.92 23.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 136.54 20.61 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.623 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -65.96 -11.44 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.69 -3.35 58.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' HIS . 83.1 m -137.61 29.06 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.516 ' SD ' HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -145.28 131.18 19.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.465 ' HB3' HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -99.6 168.17 10.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.301 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.439 HD11 ' HG2' ' A' ' 35' ' ' LYS . 51.3 mt -124.35 155.86 38.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.61 ' HG3' HD11 ' A' ' 85' ' ' ILE . 3.2 mm-40 -140.09 140.85 36.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.52 HD13 HG23 ' A' ' 76' ' ' VAL . 15.3 tp -112.31 108.68 17.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 76.2 m-85 -103.82 143.3 33.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.476 ' HA3' ' CG ' ' A' ' 59' ' ' LYS . . . -67.96 -123.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.118 . . . . 0.0 111.057 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.36 -70.69 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 58' ' ' ASP . 46.3 p-10 -74.79 58.03 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 57' ' ' ASP . 22.6 t70 39.98 65.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' CG ' ' HA3' ' A' ' 55' ' ' GLY . 12.3 ptmt -117.42 109.3 16.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.601 ' CE1' ' OE2' ' A' ' 52' ' ' GLU . 34.8 t80 -60.17 133.91 56.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.401 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 3.6 m-30 -114.42 -65.3 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.77 169.05 24.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -104.74 143.05 33.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.424 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -86.28 73.52 10.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -94.54 -51.67 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.546 ' CG ' ' HB2' ' A' ' 69' ' ' ALA . 30.8 tp60 -41.32 104.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -75.99 -21.85 56.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.265 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.21 6.88 40.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.546 ' HB2' ' CG ' ' A' ' 66' ' ' GLN . . . -95.08 164.41 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.42 ' CD2' HG22 ' A' ' 30' ' ' THR . 4.0 mt -125.55 148.45 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.5 mt -64.3 101.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.69 -45.26 0.6 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.32 -21.64 50.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 110.03 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -90.64 166.45 19.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.56 3.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.52 HG23 HD13 ' A' ' 53' ' ' LEU . 4.9 p -115.65 167.91 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.5 p30 -170.97 159.77 6.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.72 102.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 135.17 -13.13 4.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.442 1.089 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.496 ' SG ' ' CG2' ' A' ' 76' ' ' VAL . 9.3 p -58.78 -164.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -146.77 111.02 5.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.803 ' HB ' HD13 ' A' ' 12' ' ' ILE . 4.2 mm -96.73 113.43 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -98.65 124.35 43.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.628 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.701 HG11 HG11 ' A' ' 42' ' ' VAL . 32.5 t -92.19 116.34 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.61 HD11 ' HG3' ' A' ' 52' ' ' GLU . 16.0 mt -89.73 102.9 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.572 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -55.59 102.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' CYS . 0.9 OUTLIER -101.11 25.32 8.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.597 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.4 t -112.41 62.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.09 -118.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.72 177.84 5.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.964 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.85 166.57 11.12 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.782 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.83 96.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.3 p -176.3 -59.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.614 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -137.27 133.67 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.408 ' O ' ' HA ' ' A' ' 78' ' ' ASP . 2.7 mtt -81.99 118.28 22.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.0 m -127.79 150.14 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -92.32 103.1 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.852 HD13 ' HB ' ' A' ' 82' ' ' ILE . 4.8 mm -84.26 138.99 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 t -134.18 179.35 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.497 ' CB ' HG12 ' A' ' 42' ' ' VAL . 44.4 p -173.51 134.08 0.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -50.99 -23.88 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.964 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 86' ' ' ASP . 0.5 OUTLIER -71.7 -49.2 41.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.33 143.54 33.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -59.27 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.976 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -101.6 173.08 6.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.52 157.99 23.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.6 m -105.6 171.29 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -122.84 99.59 6.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -125.29 177.4 6.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -138.72 147.2 42.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -153.32 142.61 21.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.4 t -68.34 147.92 51.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.614 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.9 mtt180 -72.44 -3.89 26.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.26 -5.75 39.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.49 ' HA ' HD23 ' A' ' 29' ' ' LEU . 7.1 mt -72.53 106.66 4.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.661 HG22 HD23 ' A' ' 70' ' ' LEU . 3.1 p -56.11 136.8 52.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.443 HG21 ' O ' ' A' ' 64' ' ' LEU . 36.7 mm -37.33 -48.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.9 -52.45 64.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.7 mm-40 -62.45 -48.8 78.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.696 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -43.81 -46.51 7.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.855 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -61.34 -47.2 86.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -29.7 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' A' ' 35' ' ' LYS . 4.2 mmtt -77.86 -56.54 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.696 HD21 ' CE1' ' A' ' 34' ' ' PHE . 9.2 mt -48.04 -27.02 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.687 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 24.3 mt-10 -51.11 -30.6 16.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.9 mt -93.27 -22.36 19.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.6 t -74.68 -58.4 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.2 m -85.05 -16.12 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 72.56 5.9 64.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.426 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -103.78 173.83 3.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 110.007 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.99 132.51 15.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.855 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -72.69 -18.99 61.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.1 6.1 17.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.7 m -127.51 -59.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 108.27 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.493 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.2 ptp -52.73 152.26 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.432 ' HB3' HD12 ' A' ' 85' ' ' ILE . 2.1 tp10 -117.48 157.17 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.353 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.625 ' CD2' HD12 ' A' ' 38' ' ' LEU . 14.8 mt -112.97 154.15 26.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.619 ' CD ' HD11 ' A' ' 85' ' ' ILE . 46.6 mt-10 -144.94 139.5 27.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.708 HD13 HG23 ' A' ' 76' ' ' VAL . 7.6 tp -107.45 98.85 8.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -94.72 141.54 28.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.35 -142.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.24 -73.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 0.794 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' ASP . 11.8 t0 -74.64 58.08 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' ASP . 19.1 m-20 39.62 75.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.98 96.25 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -48.17 137.33 10.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -114.58 -74.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.81 174.43 10.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -109.32 143.11 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.476 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -90.65 63.3 5.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -81.83 -42.8 19.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.458 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.9 OUTLIER -53.04 114.0 1.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -90.28 -26.44 20.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.45 11.32 14.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -99.3 158.25 15.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.661 HD23 HG22 ' A' ' 30' ' ' THR . 18.3 mt -106.18 134.06 49.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.441 ' O ' ' CA ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -56.05 101.14 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.59 -44.93 0.58 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 p -51.13 -22.08 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.029 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.465 ' CE2' HD12 ' A' ' 64' ' ' LEU . 25.2 m-85 -84.88 167.69 25.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.68 4.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.545 1.813 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.708 HG23 HD13 ' A' ' 53' ' ' LEU . 5.0 p -117.52 172.16 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.52 ' H ' HG22 ' A' ' 76' ' ' VAL . 18.1 m-20 -173.58 161.16 3.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.361 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.4 OUTLIER -58.59 96.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.33 -16.22 2.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.32 -172.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.49 130.43 42.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.852 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.0 mm -111.33 101.52 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -88.39 110.63 20.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.587 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG2' HD13 ' A' ' 38' ' ' LEU . 46.4 t -84.99 117.7 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.619 HD11 ' CD ' ' A' ' 52' ' ' GLU . 53.8 mt -87.49 102.69 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.629 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -64.03 101.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.628 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.62 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -128.03 126.14 65.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.453 0.737 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.0 OUTLIER -75.9 105.79 7.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.84 149.71 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -92.52 103.16 15.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.66 HD13 ' HB ' ' A' ' 82' ' ' ILE . 9.7 mm -84.55 133.71 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 t -131.37 171.15 13.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 110.019 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.2 p -158.08 146.88 19.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -4.51 38.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.67 HD11 ' OD1' ' A' ' 86' ' ' ASP . 4.1 mt -76.59 -50.09 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -111.86 135.48 52.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.3 m -79.41 68.61 5.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.03 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -179.74 159.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -103.79 151.06 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -108.59 167.06 10.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -122.89 99.61 6.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -125.46 177.16 6.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 3.0 ttt180 -136.49 144.24 44.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.497 ' OH ' HG21 ' A' ' 41' ' ' VAL . 75.7 m-85 -149.3 142.31 24.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 28' ' ' SER . 5.8 t -72.24 125.92 28.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.027 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.62 ' HG2' HG21 ' A' ' 8' ' ' VAL . 1.2 mtt85 -46.51 -23.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -65.56 -37.43 86.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.054 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 29' ' ' LEU . 9.2 mt -42.6 111.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.846 HG22 ' CD2' ' A' ' 70' ' ' LEU . 80.4 p -64.44 137.39 57.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 30' ' ' THR . 38.2 mm -34.41 -41.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -63.3 -58.88 5.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.3 mm-40 -56.88 -42.22 79.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -49.16 -47.78 45.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.848 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 2.1 mttm -62.4 -47.93 81.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -48.34 -30.16 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 108.325 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -76.43 -48.76 18.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.709 HD21 ' CE1' ' A' ' 34' ' ' PHE . 30.2 mt -59.25 -33.36 70.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.788 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 25.2 mt-10 -39.43 -35.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.8 mt -87.29 -50.02 6.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.497 HG21 ' OH ' ' A' ' 25' ' ' TYR . 79.4 t -41.09 -37.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -111.0 -19.17 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 73.58 21.47 79.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -116.65 174.46 2.46 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.754 . . . . 0.0 110.015 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.94 135.4 19.15 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.549 1.815 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.848 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -77.58 -20.14 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.24 0.51 24.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.8 m -118.11 -66.08 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.26 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 8.3 ptp -44.35 154.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -116.45 161.87 18.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.55 HD21 HD12 ' A' ' 38' ' ' LEU . 21.9 mt -114.44 143.3 45.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -141.87 131.55 24.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.637 HD13 ' CG2' ' A' ' 76' ' ' VAL . 12.1 tp -104.76 107.14 17.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -91.87 147.4 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . -74.49 -144.13 0.91 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.422 1.076 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.7 -66.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 58' ' ' ASP . 9.0 t0 -77.44 55.28 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' ASP . 29.0 m-20 37.96 78.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.5 tttm -138.23 107.43 6.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -53.06 139.83 27.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -112.32 -80.19 0.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.45 178.1 6.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.53 132.31 53.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -88.49 66.85 8.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.36 -48.25 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.891 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 4.3 tp60 -40.69 107.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -73.61 -42.22 61.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -12.18 31.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.891 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -81.68 153.39 26.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.846 ' CD2' HG22 ' A' ' 30' ' ' THR . 24.7 mt -113.06 134.76 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -54.09 101.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.0 -50.23 0.51 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.45 -23.51 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -82.57 166.89 33.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.82 3.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.637 ' CG2' HD13 ' A' ' 53' ' ' LEU . 9.7 p -124.13 166.72 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -171.84 165.99 6.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -57.43 103.48 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 137.38 -18.68 3.45 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.6 m -68.43 -173.36 0.42 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.89 129.21 36.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.272 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.66 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.8 mm -108.79 100.47 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -82.92 105.41 13.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.623 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 38.8 t -85.52 103.03 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.3 mt -74.07 103.76 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.67 ' OD1' HD11 ' A' ' 16' ' ' LEU . 37.0 t70 -59.43 105.43 0.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.634 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.685 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -142.01 132.92 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.781 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.41 ' O ' ' HA ' ' A' ' 78' ' ' ASP . 1.4 mpp? -94.5 115.72 27.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.7 m -120.34 151.4 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -94.4 103.05 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.784 HD13 ' HB ' ' A' ' 82' ' ' ILE . 7.5 mm -84.27 141.92 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -150.21 165.1 33.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.39 157.51 42.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -23.3 63.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.51 -47.41 86.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -117.05 119.01 33.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.08 78.34 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -177.57 169.52 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -110.91 134.04 52.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 m -98.96 166.6 11.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.061 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -122.55 98.79 6.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HE3' HG22 ' A' ' 41' ' ' VAL . 2.9 mmtt -123.51 175.61 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 6.3 ttt180 -135.53 143.41 45.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.4 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 37.8 m-85 -147.81 157.01 43.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.9 t -83.23 147.65 27.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.685 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.5 mtp180 -74.09 -1.88 22.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.4 m -101.35 -3.22 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.573 HD13 ' HD3' ' A' ' 37' ' ' LYS . 7.2 mt -73.29 107.69 5.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.835 HG22 ' CD2' ' A' ' 70' ' ' LEU . 40.8 p -53.93 133.45 43.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 64' ' ' LEU . 43.2 mm -37.98 -42.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -61.16 -52.65 63.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.0 mm-40 -59.5 -52.3 66.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -42.31 -45.29 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.79 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.5 mttm -58.15 -40.5 81.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -56.42 -35.09 67.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.276 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.573 ' HD3' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -71.37 -35.78 71.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.781 HD12 HD21 ' A' ' 51' ' ' LEU . 23.5 mt -71.29 -35.48 71.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.815 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 32.3 mt-10 -40.86 -30.08 0.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.9 mt -92.82 -42.97 9.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.515 HG11 HG21 ' A' ' 12' ' ' ILE . 98.1 t -51.84 -35.8 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -107.77 -31.01 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.485 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 89.13 1.86 78.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -100.94 173.77 3.42 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.03 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.03 137.4 21.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.815 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . . . -75.01 -19.91 59.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.33 0.75 27.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.0 m -120.72 -65.3 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.478 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.1 ptp -46.53 150.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 84' ' ' VAL . 3.3 tp10 -112.12 160.53 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.781 HD21 HD12 ' A' ' 38' ' ' LEU . 39.1 mt -115.11 144.39 43.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.478 ' CD ' HD11 ' A' ' 85' ' ' ILE . 3.7 mt-10 -138.83 145.13 39.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.594 HD21 ' O ' ' A' ' 75' ' ' PRO . 14.7 tp -114.28 102.79 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.527 ' CE2' ' NH2' ' A' ' 81' ' ' ARG . 9.0 m-85 -93.8 146.92 23.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.78 -132.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.18 -72.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 3.9 t70 -52.98 -52.68 57.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 2.3 p30 154.05 60.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -116.42 110.13 18.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -61.43 140.63 58.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -114.75 -76.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.16 172.49 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.956 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.07 135.89 44.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.499 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -86.34 68.77 10.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.3 -46.34 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.904 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 22.6 tp60 -41.42 103.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.539 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 1.2 mt-10 -71.0 -42.46 69.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -13.97 31.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.904 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -83.61 158.13 22.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.835 ' CD2' HG22 ' A' ' 30' ' ' THR . 13.4 mt -119.38 148.31 43.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.464 HD11 ' CE2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -64.32 103.07 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.247 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 147.56 -40.37 0.98 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -19.57 65.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.421 ' CD2' HD12 ' A' ' 64' ' ' LEU . 11.8 m-85 -86.16 169.03 16.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.052 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.594 ' O ' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.01 55.39 3.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 77' ' ' ASP . 7.5 p -123.36 167.81 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 76' ' ' VAL . 32.2 t0 -174.52 165.21 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.9 OUTLIER -58.25 100.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.78 -21.44 2.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.4 m -68.67 -173.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.527 ' NH2' ' CE2' ' A' ' 54' ' ' TYR . 33.2 ttp180 -136.17 142.24 44.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.784 ' HB ' HD13 ' A' ' 12' ' ' ILE . 3.6 mm -115.01 99.89 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 70.7 t60 -84.94 97.57 9.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.563 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.478 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 96.4 t -77.32 109.36 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.478 HD11 ' CD ' ' A' ' 52' ' ' GLU . 53.0 mt -76.01 102.62 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 86' ' ' ASP . 2.6 p-10 -57.53 116.28 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.628 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.637 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -138.03 128.11 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' ASP . 2.5 mtt -84.33 110.94 18.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.79 148.35 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -91.88 102.5 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.824 HD13 ' HB ' ' A' ' 82' ' ' ILE . 11.0 mm -84.15 146.49 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 p -152.86 -176.45 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -171.28 165.65 7.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 t -78.11 -23.05 48.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.98 -61.98 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -108.11 119.61 39.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.36 71.45 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -169.82 157.63 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -100.03 146.66 26.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -112.01 167.69 10.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.987 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -122.97 98.54 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -120.6 173.66 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 10.3 ttt180 -138.14 143.64 40.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.415 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 14.1 m-85 -149.51 161.55 41.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 111.051 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -86.05 145.58 27.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.637 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.7 mtt180 -70.14 -7.15 39.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.47 -19.66 19.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.975 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 29' ' ' LEU . 6.7 mt -57.8 121.32 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.746 HG22 HD23 ' A' ' 70' ' ' LEU . 1.4 p -68.57 136.05 52.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.511 HG22 ' CE ' ' A' ' 35' ' ' LYS . 28.0 mm -37.51 -49.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.413 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -51.31 -51.99 49.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 30' ' ' THR . 5.1 mm-40 -65.53 -53.5 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CE2' HD11 ' A' ' 71' ' ' LEU . 3.4 t80 -41.43 -46.27 3.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.593 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 24.9 mttt -62.94 -41.11 99.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -50.42 -32.79 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 108.316 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 8.9 mptt -75.1 -37.62 61.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.637 HD22 HG21 ' A' ' 12' ' ' ILE . 19.6 mt -70.88 -29.22 65.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.622 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 47.9 mt-10 -44.75 -31.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.32 -30.49 15.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.113 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' LEU . 84.0 t -61.71 -40.52 87.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -105.04 -26.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 86.75 7.46 78.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -105.28 168.6 8.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.23 20.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.622 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . . . -70.74 -21.86 62.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.1 2.4 20.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 66.7 m -122.21 -65.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.272 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.488 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.3 ptp -44.89 159.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HB3' HD12 ' A' ' 85' ' ' ILE . 2.5 tp10 -123.24 160.38 26.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.572 HD12 ' HE3' ' A' ' 35' ' ' LYS . 40.7 mt -109.42 161.11 15.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.79 ' CD ' HD11 ' A' ' 85' ' ' ILE . 56.0 mt-10 -157.19 128.42 6.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.494 HD21 ' O ' ' A' ' 75' ' ' PRO . 12.6 tp -100.88 109.25 21.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -93.18 146.59 23.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 111.04 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.71 -140.28 0.66 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.04 -73.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 58' ' ' ASP . 24.6 t0 -75.14 57.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER 39.49 74.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.91 98.96 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 0.8 OUTLIER -50.74 137.86 19.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -115.73 -80.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.46 164.54 19.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.469 ' N ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -104.81 132.28 51.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD12 ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -80.87 72.32 7.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -93.17 -39.84 10.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.547 ' HB3' ' HB2' ' A' ' 69' ' ' ALA . 20.0 tp60 -49.64 116.53 1.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 7.5 mt-10 -81.3 -36.19 30.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -3.47 35.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -78.02 173.68 11.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.746 HD23 HG22 ' A' ' 30' ' ' THR . 1.6 mt -141.19 141.05 34.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.468 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.8 mt -57.2 102.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.54 -46.64 0.62 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.97 -18.87 15.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 0.74 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CE2' HD12 ' A' ' 64' ' ' LEU . 47.9 m-85 -95.53 166.24 15.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.494 ' O ' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.01 54.7 3.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.467 1.772 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.3 p -118.5 156.87 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -159.83 164.56 33.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -60.99 92.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 149.85 -28.3 1.15 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.74 -170.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 ttm105 -134.2 140.91 46.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.824 ' HB ' HD13 ' A' ' 12' ' ' ILE . 3.8 mm -118.61 100.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -82.92 120.97 26.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.65 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.488 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 23.3 t -97.99 116.49 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.79 HD11 ' CD ' ' A' ' 52' ' ' GLU . 23.0 mt -87.79 103.34 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.85 98.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 109.648 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.432 HG21 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -132.66 129.01 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 109.34 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.48 107.67 20.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.453 HG12 ' SG ' ' A' ' 80' ' ' CYS . 28.7 m -111.08 151.37 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -93.78 102.38 14.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.959 HD13 ' HB ' ' A' ' 82' ' ' ILE . 5.7 mm -84.2 128.37 38.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.14 164.53 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.423 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 82.8 p -155.01 148.16 24.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.409 ' CB ' ' OD1' ' A' ' 86' ' ' ASP . 0.2 OUTLIER -63.03 -17.41 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.043 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' A' ' 86' ' ' ASP . 2.1 mt -70.82 -45.49 64.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -108.41 118.84 37.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.65 70.24 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 178.99 -177.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -119.55 133.0 55.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.9 m -93.28 163.12 13.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -122.92 98.98 6.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.617 ' NZ ' HG22 ' A' ' 41' ' ' VAL . 5.3 mmtt -126.45 178.72 5.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -134.94 146.3 49.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -151.6 141.29 21.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 24.3 t -72.26 128.66 36.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' CG ' HG21 ' A' ' 8' ' ' VAL . 11.4 mtm180 -50.93 -20.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.8 p -69.86 -36.82 75.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.167 . . . . 0.0 110.028 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 29' ' ' LEU . 10.1 mt -43.58 118.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.907 HG22 HD23 ' A' ' 70' ' ' LEU . 1.3 p -73.26 137.71 45.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.485 ' C ' ' O ' ' A' ' 30' ' ' THR . 15.2 mm -32.84 -48.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.451 ' HB2' ' HG2' ' A' ' 67' ' ' GLU . . . -54.1 -61.45 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.7 mm-40 -56.08 -52.82 62.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.699 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -39.3 -44.25 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.812 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -62.61 -48.8 77.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.5 OUTLIER -46.6 -33.04 3.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 41' ' ' VAL . 16.7 mmtt -72.39 -47.28 50.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.699 HD21 ' CE1' ' A' ' 34' ' ' PHE . 7.0 mt -58.57 -34.53 71.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.684 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 44.4 mt-10 -46.19 -30.36 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.65 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -93.82 -27.82 16.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.617 HG22 ' NZ ' ' A' ' 23' ' ' LYS . 43.4 t -70.18 -44.1 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -96.98 -32.57 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 91.82 1.85 70.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.426 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.2 OUTLIER -102.13 173.96 3.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.026 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.05 138.69 23.25 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.812 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -75.29 -19.31 59.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.4 5.23 18.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 77.6 m -126.23 -63.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.478 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.4 ptp -45.58 148.9 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -110.64 153.62 24.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.641 HD11 ' CG ' ' A' ' 35' ' ' LYS . 16.5 mt -110.59 144.84 38.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 3.4 mt-10 -140.57 137.92 34.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.462 HD21 ' C ' ' A' ' 75' ' ' PRO . 12.9 tp -112.26 107.75 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 55' ' ' GLY . 55.8 m-85 -102.07 148.54 25.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 54' ' ' TYR . . . -58.2 -118.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -107.5 -69.91 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -61.7 -47.57 84.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER 159.32 46.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -95.97 96.86 9.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -60.03 130.96 49.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.402 ' CE2' ' HA2' ' A' ' 55' ' ' GLY . 9.5 m-85 -106.35 -79.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -138.3 169.77 17.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -103.7 132.14 50.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.458 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.5 81.05 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -105.66 -53.51 2.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.448 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 28.7 tp60 -42.95 115.02 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' HG2' ' HB2' ' A' ' 32' ' ' ALA . 2.9 mt-10 -76.38 -41.14 48.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.47 -14.32 62.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -75.65 143.61 42.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.907 HD23 HG22 ' A' ' 30' ' ' THR . 63.4 mt -104.23 132.72 50.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -52.71 101.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.28 -54.57 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.84 -27.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.418 ' CD2' HD12 ' A' ' 64' ' ' LEU . 30.9 m-85 -79.16 168.44 26.84 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.462 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 55.56 3.98 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.456 1.766 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.453 HG22 ' H ' ' A' ' 77' ' ' ASP . 9.8 p -104.99 168.58 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.453 ' H ' HG22 ' A' ' 76' ' ' VAL . 12.1 m-20 -169.02 153.82 5.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.02 98.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.63 -7.04 4.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.453 ' SG ' HG12 ' A' ' 10' ' ' VAL . 11.9 p -57.5 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -146.63 111.35 5.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.959 ' HB ' HD13 ' A' ' 12' ' ' ILE . 5.4 mm -95.62 100.45 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -87.05 109.62 19.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.566 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.478 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 25.5 t -89.87 107.26 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.7 mt -79.55 102.79 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.654 ' HB3' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -54.21 98.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.602 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -129.5 129.21 66.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.561 0.8 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 mtp -85.15 117.25 23.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 m -124.95 150.59 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -92.05 103.28 15.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.857 HD13 ' HB ' ' A' ' 82' ' ' ILE . 6.0 mm -84.4 135.34 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.11 -178.01 4.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.442 ' OG ' ' ND2' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -170.79 161.61 7.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.024 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.68 -15.5 51.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.589 HD11 ' OD1' ' A' ' 86' ' ' ASP . 1.2 mt -69.2 -63.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.442 ' ND2' ' OG ' ' A' ' 14' ' ' SER . 2.6 p30 -74.09 -36.52 64.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.97 32.7 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -143.78 172.96 12.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -102.69 129.17 49.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.6 m -104.26 171.74 7.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -122.44 98.67 6.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 4.5 mmtt -122.84 174.7 6.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.526 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 14.4 ttt-85 -138.11 146.75 43.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.526 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 28.4 m-85 -152.17 149.99 29.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.2 t -77.21 149.17 35.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.963 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.602 ' HG2' HG21 ' A' ' 8' ' ' VAL . 8.3 mtt180 -73.7 -1.81 20.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.358 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.93 -0.3 29.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.49 ' HA ' HD23 ' A' ' 29' ' ' LEU . 7.3 mt -76.28 112.5 12.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.653 HG22 ' CD2' ' A' ' 70' ' ' LEU . 33.5 p -57.8 133.31 55.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.807 HG22 ' HE3' ' A' ' 35' ' ' LYS . 42.6 mm -38.36 -42.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -60.8 -51.75 68.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.4 mm-40 -62.68 -47.71 82.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.762 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.5 t80 -45.46 -47.06 13.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.827 ' CG ' HD11 ' A' ' 51' ' ' LEU . 22.4 mttt -60.11 -43.57 95.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.85 -36.55 7.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.351 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 13.3 mptt -72.99 -38.84 66.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.762 HD21 ' CE1' ' A' ' 34' ' ' PHE . 20.0 mt -66.34 -28.42 68.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.746 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 42.0 mt-10 -50.17 -30.85 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.2 mt -92.59 -23.54 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.64 -42.78 80.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -105.55 -10.74 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.429 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 69.07 12.8 65.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.563 1.164 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -109.23 172.54 3.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.753 . . . . 0.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.86 20.86 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.485 1.782 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.777 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -77.21 -19.77 56.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.75 3.01 20.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.9 m -123.61 -64.98 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.559 ' HE3' ' HA ' ' A' ' 46' ' ' ALA . 6.9 ptp -45.17 160.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.679 ' O ' HD23 ' A' ' 51' ' ' LEU . 3.2 tp10 -120.05 167.04 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.827 HD11 ' CG ' ' A' ' 35' ' ' LYS . 12.2 mt -119.77 162.7 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 40.5 mt-10 -155.0 135.29 13.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.571 ' HB2' HD21 ' A' ' 64' ' ' LEU . 24.9 tp -109.5 103.26 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.519 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 62.5 m-85 -99.8 143.12 30.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.99 -130.36 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.27 -71.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ASP . 5.3 t70 -74.01 57.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.519 ' OD1' ' CD2' ' A' ' 54' ' ' TYR . 26.8 t0 38.41 58.54 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.92 111.99 23.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -61.57 133.54 55.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -110.27 -67.5 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.08 169.96 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.038 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.53 130.06 50.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -82.03 69.27 8.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -95.49 -42.96 8.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.934 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 2.7 tp-100 -47.14 109.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.51 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -76.88 -31.89 57.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.36 0.4 25.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.934 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -87.23 174.07 8.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.653 ' CD2' HG22 ' A' ' 30' ' ' THR . 1.2 mt -140.29 147.91 40.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 71' ' ' LEU . 1.2 mt -59.75 117.95 5.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 132.03 -56.29 0.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.02 -25.92 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 110.023 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CE2' HD12 ' A' ' 64' ' ' LEU . 30.1 m-85 -86.75 168.8 16.84 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.98 55.51 3.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.664 HG22 ' H ' ' A' ' 77' ' ' ASP . 5.7 p -103.17 176.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.664 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.5 p30 -175.49 141.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -49.96 96.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.3 -14.87 2.99 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -137.58 124.51 21.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.857 ' HB ' HD13 ' A' ' 12' ' ' ILE . 8.9 mm -106.5 100.06 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -88.91 124.19 33.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.562 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.457 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 64.7 t -98.35 126.6 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.6 mt -95.76 102.69 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.589 ' OD1' HD11 ' A' ' 16' ' ' LEU . 22.8 t70 -57.64 103.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.566 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.655 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -129.04 128.24 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.48 110.41 12.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 m -122.55 146.46 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -92.15 104.04 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.748 HD13 ' HB ' ' A' ' 82' ' ' ILE . 14.4 mm -84.33 134.98 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 p -135.43 154.18 51.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.942 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.44 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 27.8 p -145.34 142.74 29.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -8.46 53.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.009 HD11 ' OD1' ' A' ' 86' ' ' ASP . 3.9 mt -78.43 -46.84 18.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.2 -26.84 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t 60.29 50.72 5.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -163.19 163.73 25.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.161 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -94.89 124.11 38.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -98.74 168.49 10.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -122.5 99.28 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -126.06 175.37 7.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 2.6 ttt-85 -138.6 147.46 42.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 52.4 m-85 -152.81 154.53 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.9 t -78.23 148.04 34.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.655 ' HG2' HG21 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -74.25 -1.86 22.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.81 -0.49 34.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 29' ' ' LEU . 6.9 mt -75.5 111.91 11.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.71 HG22 ' CD2' ' A' ' 70' ' ' LEU . 74.3 p -56.91 133.85 54.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.479 HD12 ' HG ' ' A' ' 64' ' ' LEU . 47.5 mm -37.39 -43.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.06 -53.81 52.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.3 mm-40 -61.1 -45.74 93.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -46.95 -47.08 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.746 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 4.3 mttm -62.92 -45.88 90.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.402 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -44.43 -33.44 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 108.318 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -74.94 -45.4 42.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 42' ' ' VAL . 22.5 mt -61.05 -32.24 71.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.693 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 64.5 mt-10 -44.8 -34.74 2.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.227 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.722 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -86.29 -41.62 14.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.9 t -49.49 -42.29 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -103.2 -29.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 87.57 20.88 49.99 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -119.66 173.6 3.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.0 139.16 23.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.746 ' HB1' ' CB ' ' A' ' 35' ' ' LYS . . . -79.05 -20.56 48.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.51 4.42 18.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 90.8 m -121.63 -57.88 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.317 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.432 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 5.5 ptp -57.85 148.63 24.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.47 ' HB3' HD12 ' A' ' 85' ' ' ILE . 3.1 tp10 -108.17 157.64 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.47 ' CD2' HG22 ' A' ' 84' ' ' VAL . 13.9 mt -114.94 163.37 15.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.489 ' OE2' ' CE1' ' A' ' 60' ' ' PHE . 21.3 mt-10 -158.56 140.79 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.728 HD11 HG23 ' A' ' 76' ' ' VAL . 53.1 tp -105.88 131.82 52.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 26.5 m-85 -121.74 151.04 40.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.72 -125.35 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.5 -70.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 58' ' ' ASP . 19.5 t0 -73.47 58.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' ASP . 77.9 m-20 39.4 68.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 17.5 tttp -120.78 110.47 16.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.489 ' CE1' ' OE2' ' A' ' 52' ' ' GLU . 59.6 t80 -56.04 137.19 51.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -115.28 -74.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.59 169.32 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -105.82 125.05 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.479 ' HG ' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -72.93 63.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -79.89 -46.14 17.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.457 ' O ' HG21 ' A' ' 31' ' ' ILE . 33.5 tp60 -45.97 145.1 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -111.88 -30.45 7.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.3 1.73 43.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.81 177.38 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.71 ' CD2' HG22 ' A' ' 30' ' ' THR . 2.2 mt -139.95 152.26 46.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 71' ' ' LEU . 1.1 mt -66.15 111.82 3.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.404 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 140.88 -56.28 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.43 -26.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.463 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 71.7 m-85 -86.74 167.92 20.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.682 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.0 56.98 4.42 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.728 HG23 HD11 ' A' ' 53' ' ' LEU . 4.9 p -103.48 179.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.684 ' H ' HG22 ' A' ' 76' ' ' VAL . 16.4 t0 -175.02 162.14 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.95 90.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.77 -15.46 2.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.19 -170.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -136.7 138.15 40.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.748 ' HB ' HD13 ' A' ' 12' ' ' ILE . 6.4 mm -118.27 99.85 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -82.43 131.84 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.589 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.47 HG22 ' CD2' ' A' ' 51' ' ' LEU . 69.6 t -109.95 119.33 58.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.47 HD12 ' HB3' ' A' ' 50' ' ' GLU . 47.5 mt -87.53 102.64 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 1.009 ' OD1' HD11 ' A' ' 16' ' ' LEU . 29.5 t70 -54.44 104.52 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.619 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.632 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -130.43 123.76 56.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.796 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' ASP . 11.5 mtm -75.08 109.45 8.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.53 147.23 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -92.45 103.05 15.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.798 HD13 ' HB ' ' A' ' 82' ' ' ILE . 8.5 mm -84.25 151.63 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.1 p -155.56 166.3 33.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.3 p -154.78 154.48 32.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.21 -26.62 66.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -57.76 11.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -96.94 120.7 37.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.16 60.93 2.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -166.57 176.72 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.47 143.79 43.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -110.69 165.81 11.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -123.07 98.77 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -121.78 174.88 6.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 4.6 ttt180 -135.92 143.65 45.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.41 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 57.8 m-85 -150.46 134.91 17.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 16.4 t -66.36 133.89 51.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.632 ' HG2' HG21 ' A' ' 8' ' ' VAL . 5.6 mtt180 -53.02 -18.94 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.6 m -71.54 -37.68 71.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 29' ' ' LEU . 8.8 mt -43.28 111.53 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.905 HG22 ' CD2' ' A' ' 70' ' ' LEU . 59.8 p -65.11 137.55 57.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' A' ' 30' ' ' THR . 40.8 mm -34.23 -43.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.676 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -62.58 -58.54 7.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' THR . 5.5 mm-40 -56.51 -43.32 79.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.659 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -48.19 -48.36 34.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.825 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -59.96 -47.92 83.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 1.8 t -46.32 -35.35 5.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.331 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -72.84 -48.15 40.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 34' ' ' PHE . 42.3 mt -58.95 -36.78 75.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.746 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 27.7 mt-10 -39.38 -39.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.586 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -81.24 -42.11 21.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' LEU . 97.2 t -50.08 -54.71 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.42 -18.91 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 75.87 10.83 84.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -107.54 173.87 2.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.966 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.06 142.12 27.28 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.788 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.825 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -82.77 -15.26 52.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.89 3.9 27.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.3 m -124.48 -62.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.312 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.472 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 5.9 ptp -49.99 152.34 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.409 ' O ' HD23 ' A' ' 51' ' ' LEU . 1.8 tp10 -113.94 166.09 11.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.573 HD21 HD12 ' A' ' 38' ' ' LEU . 36.8 mt -118.27 145.25 45.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -139.41 143.11 37.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.488 HD13 ' CG2' ' A' ' 76' ' ' VAL . 14.0 tp -114.44 103.22 10.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -93.78 149.55 21.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.424 ' HA3' ' CG ' ' A' ' 59' ' ' LYS . . . -79.97 -137.13 1.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.52 -73.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' ASP . 4.3 m-20 -73.77 57.36 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' ASP . 17.2 t70 37.67 72.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.424 ' CG ' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -123.81 105.33 9.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -58.78 135.63 57.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -109.27 -79.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.34 167.23 18.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.04 136.6 38.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.458 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -88.86 70.53 8.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -95.64 -50.3 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.923 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 27.7 tp60 -40.25 103.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.676 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 1.7 mt-10 -73.01 -41.17 64.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.93 -12.48 37.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.923 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -82.65 156.28 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.905 ' CD2' HG22 ' A' ' 30' ' ' THR . 15.6 mt -113.01 143.47 44.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -61.69 101.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.15 -47.93 0.54 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.87 -27.12 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 0.791 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -80.88 166.86 36.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.98 4.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.488 ' CG2' HD13 ' A' ' 53' ' ' LEU . 9.9 p -125.44 166.8 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -174.36 170.44 3.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 9' ' ' MET . 5.7 p-10 -60.03 101.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.88 -24.88 2.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.1 m -67.92 -172.83 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 81' ' ' ARG . 22.7 ttm105 -134.13 144.07 48.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.798 ' HB ' HD13 ' A' ' 12' ' ' ILE . 9.2 mm -120.47 104.29 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -88.69 107.57 19.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.629 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.472 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 95.7 t -85.49 119.34 33.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 57.2 mt -87.79 102.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.19 101.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.54 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.45 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -133.72 122.7 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.344 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.0 mtt -75.98 115.24 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.2 m -115.32 149.55 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -92.33 104.54 16.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.461 HD13 ' HB ' ' A' ' 82' ' ' ILE . 5.8 mm -83.98 147.28 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.35 127.76 6.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.5 p -127.25 148.28 50.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -24.68 67.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.051 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mt -64.82 -49.83 69.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -93.43 132.63 37.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -87.41 52.18 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -170.87 178.47 3.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.51 149.47 23.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.76 127.16 54.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -98.84 97.99 9.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 28.0 mmtt -112.23 -179.46 3.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 3.9 ttt180 -138.6 140.86 39.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 12.2 m-85 -153.04 161.57 42.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 t -91.56 148.46 22.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.45 ' HG2' HG21 ' A' ' 8' ' ' VAL . 8.2 mtm180 -71.63 -4.77 29.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.3 m -94.97 -13.71 25.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.474 ' HA ' HD23 ' A' ' 29' ' ' LEU . 8.0 mt -64.59 121.17 13.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.659 HG22 ' CD2' ' A' ' 70' ' ' LEU . 30.2 p -66.97 135.64 54.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.627 HG22 ' HE3' ' A' ' 35' ' ' LYS . 46.8 mm -36.46 -39.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.604 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -62.69 -56.35 18.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' THR . 7.6 mm-40 -59.46 -48.63 80.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -42.25 -50.79 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.719 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 11.9 mttm -60.56 -46.94 88.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.401 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -44.1 -33.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 108.31 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -73.24 -46.74 48.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.509 ' O ' HG22 ' A' ' 42' ' ' VAL . 20.2 mt -59.02 -32.05 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.603 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 59.2 mt-10 -48.7 -28.15 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -93.41 -25.38 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' LEU . 24.3 t -73.38 -58.8 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.0 m -81.06 -32.28 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 90.95 2.6 71.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -101.91 172.24 4.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.003 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.61 21.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.719 ' HB1' ' CB ' ' A' ' 35' ' ' LYS . . . -73.39 -20.43 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.34 4.41 17.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 79.4 m -125.84 -62.35 1.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 108.33 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.485 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 5.6 ptp -50.06 143.37 8.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.699 ' C ' HD23 ' A' ' 51' ' ' LEU . 2.8 tp10 -110.96 154.56 23.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.699 HD23 ' C ' ' A' ' 50' ' ' GLU . 8.5 mt -116.23 155.47 28.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 17.5 mt-10 -147.38 146.0 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.022 HD13 HG23 ' A' ' 76' ' ' VAL . 12.6 tp -106.5 102.43 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 52.3 m-85 -98.83 150.85 21.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . -59.67 -119.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.11 -69.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 1.4 m-20 -60.76 -48.07 83.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 1.5 m-20 156.66 70.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.2 mttt -124.75 101.11 6.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 18.9 t80 -58.6 141.84 51.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' LEU . 3.9 m-30 -115.5 -82.58 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.1 m -122.96 164.04 19.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HG2' ' CZ ' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -100.91 134.67 43.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.5 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -85.83 50.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -42.67 68.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.571 ' HB3' ' HB2' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -56.7 118.8 5.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.604 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 3.3 pt-20 -86.59 -36.61 18.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.433 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 50.7 t0 -69.28 -8.25 44.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.571 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -76.27 173.9 10.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.659 ' CD2' HG22 ' A' ' 30' ' ' THR . 5.0 mt -134.47 153.11 52.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.439 ' CD2' HG11 ' A' ' 76' ' ' VAL . 1.5 mt -68.38 101.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.85 -48.65 0.53 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.97 -23.94 14.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -89.45 166.16 22.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.781 ' O ' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 54.34 3.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.516 1.798 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.022 HG23 HD13 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -118.57 174.22 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.44 ' H ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER 178.95 167.74 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' HB3' HG12 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -59.83 100.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.27 -17.24 3.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.8 m -65.81 -173.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -133.95 134.34 42.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.461 ' HB ' HD13 ' A' ' 12' ' ' ILE . 30.5 mm -115.82 102.54 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -82.66 112.14 19.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.597 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.485 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 38.6 t -87.79 94.88 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.6 mt -68.75 102.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.38 100.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.619 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.563 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -145.44 127.06 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -73.27 101.52 3.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.6 m -117.21 143.6 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -92.54 104.56 16.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.91 HD13 ' HB ' ' A' ' 82' ' ' ILE . 8.2 mm -84.34 148.01 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 p -153.74 167.06 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.449 ' CB ' HG12 ' A' ' 42' ' ' VAL . 23.3 p -161.93 159.04 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 t -72.7 -17.96 61.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.689 HD11 ' OD1' ' A' ' 86' ' ' ASP . 1.4 mt -71.96 -54.09 11.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -84.12 -29.25 26.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER 76.1 -60.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.6 169.44 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.05 146.77 24.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -113.96 167.89 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -122.87 100.1 6.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -128.4 173.3 10.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.519 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -133.6 152.89 51.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.331 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 26.1 m-85 -155.52 151.39 27.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' LEU . 22.9 t -82.29 122.89 28.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.563 ' HG2' HG21 ' A' ' 8' ' ' VAL . 7.2 mtt180 -43.83 -25.99 0.23 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 26' ' ' SER . 15.6 m -64.36 -40.59 96.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' SER . 9.6 mt -40.02 121.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.611 HG22 ' CD2' ' A' ' 70' ' ' LEU . 66.6 p -73.5 138.78 45.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' THR . 31.5 mm -35.62 -44.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -60.51 -56.51 20.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.088 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -59.98 -48.04 83.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CE2' HD11 ' A' ' 71' ' ' LEU . 1.4 t80 -43.06 -48.39 6.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -61.93 -48.5 80.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' LYS . 1.3 t -40.97 -35.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 108.307 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -73.61 -51.2 17.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.932 ' CD1' HD21 ' A' ' 51' ' ' LEU . 34.3 mt -51.14 -32.15 22.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.499 ' OE2' ' CB ' ' A' ' 46' ' ' ALA . 80.5 mt-10 -48.39 -27.58 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.702 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -92.52 -26.94 17.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' LEU . 55.5 t -70.12 -45.56 75.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -95.01 -32.89 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 90.36 22.14 35.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -125.32 171.36 7.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.35 22.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.499 ' CB ' ' OE2' ' A' ' 39' ' ' GLU . . . -63.12 -19.13 64.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -5.56 58.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' HIS . 76.4 m -127.66 30.65 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.422 ' HE2' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -148.51 137.25 21.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 111.03 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -105.68 173.02 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.932 HD21 ' CD1' ' A' ' 38' ' ' LEU . 92.9 mt -124.43 165.84 17.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 21.7 mt-10 -158.38 137.53 11.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.566 HD13 ' CG2' ' A' ' 76' ' ' VAL . 15.7 tp -111.02 103.46 11.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.455 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 64.1 m-85 -100.32 137.42 38.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.05 -140.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.8 -73.63 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 58' ' ' ASP . 6.6 t0 -74.48 58.0 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.451 ' OD1' ' CD2' ' A' ' 54' ' ' TYR . 21.9 t0 39.41 76.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -128.61 98.51 5.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -50.07 138.21 16.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -116.3 -72.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 m -135.19 173.7 11.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.97 127.97 54.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.503 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -84.36 68.76 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.66 -46.5 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.455 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 11.0 tp60 -43.81 108.97 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.538 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -73.87 -35.67 64.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.06 -11.85 60.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -80.6 150.77 29.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.611 ' CD2' HG22 ' A' ' 30' ' ' THR . 55.6 mt -109.48 132.63 53.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.433 HD11 ' CE2' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -53.22 101.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.86 -51.53 0.47 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 p -45.73 -28.18 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.018 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.49 ' CD2' HD12 ' A' ' 64' ' ' LEU . 49.0 m-85 -79.13 165.53 48.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.413 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.95 56.03 4.1 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.566 ' CG2' HD13 ' A' ' 53' ' ' LEU . 7.4 p -121.11 163.83 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.64 169.11 6.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 9' ' ' MET . 5.5 p-10 -56.59 104.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 134.16 -20.28 4.02 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.432 ' CB ' HG23 ' A' ' 76' ' ' VAL . 1.3 m -64.74 -171.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -135.64 138.85 43.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.91 ' HB ' HD13 ' A' ' 12' ' ' ILE . 21.7 mm -119.61 99.75 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -86.38 120.14 27.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.609 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.486 HG22 HD13 ' A' ' 38' ' ' LEU . 98.8 t -95.43 108.18 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.1 mt -79.55 102.6 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.689 ' OD1' HD11 ' A' ' 16' ' ' LEU . 31.3 t70 -54.58 104.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.2 m-70 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.615 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.627 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -128.78 128.04 67.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.0 mtm -79.63 120.2 23.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.82 150.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -91.92 103.79 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.808 HD13 ' HB ' ' A' ' 82' ' ' ILE . 6.3 mm -83.88 135.45 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.84 170.51 13.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 p -167.72 129.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.039 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.93 -22.95 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 86' ' ' ASP . 1.1 mt -67.24 -58.69 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -72.11 154.57 41.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -55.85 4.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.044 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -96.56 -176.66 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -95.79 164.76 12.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -116.33 166.6 11.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -123.15 98.59 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -120.42 175.13 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -138.45 144.63 40.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -147.06 157.46 43.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -82.74 147.21 28.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.627 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.7 mtt180 -72.28 -3.67 25.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.92 -9.99 23.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.0 mt -67.65 111.13 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.866 HG22 ' CD2' ' A' ' 70' ' ' LEU . 72.8 p -59.18 133.72 56.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' THR . 39.2 mm -36.2 -46.1 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -55.95 -54.65 42.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.2 mm-40 -59.03 -53.24 60.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.79 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.5 t80 -41.64 -47.92 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.845 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -58.56 -40.31 82.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -53.65 -33.95 56.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 108.288 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 8.5 mptt -74.54 -38.23 62.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.79 HD21 ' CE1' ' A' ' 34' ' ' PHE . 15.4 mt -68.77 -32.0 71.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.805 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 29.4 mt-10 -41.66 -35.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.1 mt -88.89 -44.61 10.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -46.07 -38.24 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -111.13 -15.39 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 70.05 20.66 76.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.962 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -115.73 173.95 2.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 0.0 109.986 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.06 130.87 13.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.797 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.845 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -75.77 -14.52 60.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.67 2.86 35.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 m -124.31 -63.11 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.473 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.4 ptp -46.6 149.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -109.87 162.74 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.776 HD21 HD12 ' A' ' 38' ' ' LEU . 35.5 mt -116.85 146.91 42.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -138.95 130.65 27.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.719 ' HB2' HD21 ' A' ' 64' ' ' LEU . 15.8 tp -106.12 102.14 11.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -97.3 146.93 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.14 -131.88 0.09 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.76 -71.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ASP . 10.5 t0 -73.35 58.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER 38.06 61.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.03 110.58 19.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -58.84 133.51 56.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -112.26 -72.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.09 169.97 16.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' C ' HD13 ' A' ' 64' ' ' LEU . 3.1 mmtp -105.3 135.9 45.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.719 HD21 ' HB2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -90.81 64.4 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.36 -43.83 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.84 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 6.2 tp60 -46.97 113.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.559 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -77.39 -36.47 53.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -8.31 53.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.84 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -80.19 172.05 14.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.866 ' CD2' HG22 ' A' ' 30' ' ' THR . 3.3 mt -141.04 149.03 41.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 71' ' ' LEU . 1.4 mt -59.55 113.8 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.412 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 136.76 -56.25 0.69 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.8 -26.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.448 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 39.7 m-85 -88.4 168.5 16.05 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.03 55.4 3.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.653 HG22 ' H ' ' A' ' 77' ' ' ASP . 5.9 p -103.15 176.42 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.653 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.3 p30 -178.57 144.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -51.05 97.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.72 -13.73 3.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.9 -169.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -137.07 133.05 34.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.228 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.808 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.6 mm -113.54 102.2 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -90.25 111.0 22.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.473 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 63.8 t -88.35 120.35 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 72.7 mt -91.88 102.77 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.475 ' HB2' HD11 ' A' ' 16' ' ' LEU . 1.2 t70 -58.98 106.63 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.607 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.74 134.0 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.2 mtp -91.34 111.47 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m -118.73 147.78 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -92.11 102.53 15.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.776 HD13 ' HB ' ' A' ' 82' ' ' ILE . 9.1 mm -84.33 149.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.6 t -149.09 -176.34 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.463 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 57.2 p -173.24 160.07 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.77 -10.98 59.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 86' ' ' ASP . 1.5 mt -79.16 -56.31 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 18' ' ' SER . 1.5 m-80 -83.91 -31.24 25.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER 78.58 -60.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.998 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -60.59 157.01 15.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -85.95 148.26 25.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -114.85 172.11 7.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.036 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.46 98.97 6.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.505 ' HE3' HG22 ' A' ' 41' ' ' VAL . 4.3 mmtt -123.09 172.81 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -138.86 145.06 39.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.528 ' OH ' HG21 ' A' ' 41' ' ' VAL . 42.6 m-85 -153.24 143.74 22.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.062 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.8 t -66.98 146.95 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 5.5 mtt180 -73.79 -2.56 24.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.9 m -100.62 -1.33 35.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.494 ' HA ' HD23 ' A' ' 29' ' ' LEU . 6.8 mt -75.26 112.67 11.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.806 HG22 ' CD2' ' A' ' 70' ' ' LEU . 81.5 p -56.39 132.61 51.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.374 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.601 HD12 ' HB3' ' A' ' 64' ' ' LEU . 37.6 mm -36.89 -43.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.637 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -60.63 -54.11 49.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.6 mm-40 -60.83 -43.67 97.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.69 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.8 t80 -49.39 -46.93 48.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.589 ' NZ ' HG22 ' A' ' 31' ' ' ILE . 20.8 mttt -63.63 -44.44 93.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.98 -27.58 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -80.36 -49.07 12.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.69 HD21 ' CE1' ' A' ' 34' ' ' PHE . 14.3 mt -56.74 -27.57 59.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.47 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 28.4 mt-10 -42.27 -32.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -92.22 -35.3 13.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.528 HG21 ' OH ' ' A' ' 25' ' ' TYR . 89.0 t -56.78 -36.36 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 14' ' ' SER . 0.2 OUTLIER -112.51 -12.88 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 68.64 16.17 69.52 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.949 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -109.48 162.04 21.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 130.94 13.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . . . -63.62 -12.99 37.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.71 1.56 51.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' HIS . 82.2 m -145.24 37.62 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.453 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -147.25 134.25 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -106.7 156.07 19.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.486 HD11 ' HG2' ' A' ' 35' ' ' LYS . 14.9 mt -110.29 153.4 24.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 8.6 mt-10 -141.39 135.45 30.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.514 ' CD1' HG23 ' A' ' 76' ' ' VAL . 61.7 tp -106.79 136.36 46.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 83' ' ' HIS . 22.6 m-85 -125.19 153.9 42.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.511 ' HA3' ' CE1' ' A' ' 61' ' ' TYR . . . -73.15 -119.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.084 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.31 -69.49 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' ASP . 8.3 t70 -73.68 57.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASP . 25.9 t0 38.2 67.18 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -121.87 111.54 17.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -51.37 121.53 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.511 ' CE1' ' HA3' ' A' ' 55' ' ' GLY . 2.6 m-30 -99.37 -53.29 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.6 m -165.56 179.28 6.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.431 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -111.99 136.39 51.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.601 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -85.07 49.29 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -54.38 43.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -43.41 118.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.637 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 3.4 pt-20 -87.09 -36.13 18.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 4.3 m-20 -69.12 -18.74 64.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -67.1 171.16 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.806 ' CD2' HG22 ' A' ' 30' ' ' THR . 1.4 mt -133.35 157.54 45.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.7 mt -71.19 101.36 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 151.4 -42.26 0.73 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.86 -20.32 66.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -90.36 167.14 17.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.501 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 54.48 3.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.514 HG23 ' CD1' ' A' ' 53' ' ' LEU . 9.8 p -119.1 167.43 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.408 ' H ' HG22 ' A' ' 76' ' ' VAL . 10.1 p30 -171.58 158.35 5.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.43 96.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.38 -17.92 2.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.2 m -68.55 -170.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -132.41 145.06 50.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.776 ' HB ' HD13 ' A' ' 12' ' ' ILE . 5.8 mm -125.32 119.34 55.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 40.2 t60 -105.28 118.48 36.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.615 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.453 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 84.7 t -93.54 126.1 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 88.9 mt -95.92 102.76 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.527 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -60.59 101.09 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.655 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.452 HG21 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -135.61 130.58 50.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 0.745 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.6 mtt -83.17 119.06 24.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.6 m -126.7 148.22 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -92.1 103.39 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.781 HD13 ' HB ' ' A' ' 82' ' ' ILE . 5.5 mm -85.08 145.34 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 t -141.05 -178.02 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.7 p -173.84 132.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.413 ' CB ' ' OD1' ' A' ' 86' ' ' ASP . 0.3 OUTLIER -57.86 -24.4 57.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.57 -49.33 77.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -105.61 124.31 49.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.36 62.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 t80 179.53 160.07 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.12 155.28 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -115.03 169.43 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.939 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -122.92 98.83 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.621 ' HE3' HG22 ' A' ' 41' ' ' VAL . 7.5 mmtt -125.66 179.39 5.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 3.4 ttp180 -138.56 146.49 41.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 53.8 m-85 -149.93 141.73 23.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -66.68 145.8 55.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.955 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.452 ' CG ' HG21 ' A' ' 8' ' ' VAL . 2.7 mtm105 -73.19 -2.78 23.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.48 0.37 47.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 109.982 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.497 ' HA ' HD23 ' A' ' 29' ' ' LEU . 7.6 mt -77.2 113.19 14.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.916 HG22 ' CD2' ' A' ' 70' ' ' LEU . 81.3 p -59.75 134.7 57.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.357 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.589 HG21 ' O ' ' A' ' 66' ' ' GLN . 42.7 mm -38.07 -38.33 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -64.93 -53.99 37.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.4 mm-40 -62.73 -43.91 97.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.495 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.6 t80 -46.99 -47.28 21.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.76 ' CG ' HD11 ' A' ' 51' ' ' LEU . 35.8 mttt -62.93 -50.82 69.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.53 -32.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -73.49 -47.95 37.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.665 HD12 ' CD2' ' A' ' 51' ' ' LEU . 8.7 mt -61.08 -34.79 75.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.498 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 62.9 mt-10 -38.37 -30.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' LEU . 11.6 mt -89.83 -47.84 7.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.621 HG22 ' HE3' ' A' ' 23' ' ' LYS . 93.7 t -47.69 -31.97 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -110.47 -32.06 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 85.89 25.72 37.04 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -125.83 168.49 13.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.789 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.56 23.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.793 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.489 ' HB1' ' CB ' ' A' ' 35' ' ' LYS . . . -67.62 -9.97 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.61 -5.59 55.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' HIS . 59.1 m -128.19 27.78 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.298 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.07 142.17 26.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -113.26 162.76 15.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.76 HD11 ' CG ' ' A' ' 35' ' ' LYS . 46.5 mt -122.52 139.45 53.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.373 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -122.72 142.55 50.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.636 ' CD1' HG23 ' A' ' 76' ' ' VAL . 48.9 tp -113.52 107.97 16.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -101.91 152.58 20.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.9 -132.13 0.38 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.84 -71.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -74.42 57.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER 38.81 61.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -117.07 111.0 18.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -53.37 138.11 33.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -114.88 -69.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.8 m -146.1 176.28 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.992 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.9 140.75 48.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.605 HD12 ' CE2' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -88.21 56.58 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.83 -40.29 79.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.589 ' O ' HG21 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -65.65 130.16 42.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.575 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 4.2 pt-20 -92.92 -36.68 12.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.422 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 1.3 m-20 -67.57 -26.39 66.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -53.24 171.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.916 ' CD2' HG22 ' A' ' 30' ' ' THR . 3.7 mt -134.38 148.83 50.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 71' ' ' LEU . 1.1 mt -62.05 114.0 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 137.89 -56.03 0.67 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.88 -25.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 0.736 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.605 ' CE2' HD12 ' A' ' 64' ' ' LEU . 32.6 m-85 -86.85 169.05 15.82 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.05 55.9 4.12 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.658 HG22 ' H ' ' A' ' 77' ' ' ASP . 5.1 p -105.94 177.49 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.658 ' H ' HG22 ' A' ' 76' ' ' VAL . 20.6 m-20 -179.46 157.54 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 5.9 p-10 -59.68 97.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.27 -13.45 3.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.445 1.091 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.83 -172.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 81' ' ' ARG . 15.2 ttm105 -136.83 131.16 32.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.781 ' HB ' HD13 ' A' ' 12' ' ' ILE . 22.2 mm -113.71 99.95 9.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -91.94 128.94 37.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.576 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.471 HG22 ' CD2' ' A' ' 51' ' ' LEU . 37.3 t -95.34 137.95 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.8 mt -106.43 103.03 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.413 ' OD1' ' CB ' ' A' ' 15' ' ' SER . 5.8 p-10 -55.26 101.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.2 m-70 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.427 HG21 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -139.13 132.04 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 109.302 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.3 mtt -85.94 118.48 25.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 m -125.64 149.39 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -92.06 103.32 15.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.764 HD13 ' HB ' ' A' ' 82' ' ' ILE . 7.8 mm -84.35 145.52 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.0 t -150.42 -179.31 7.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.404 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 98.3 p -170.76 155.32 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.93 -9.09 58.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.553 HD11 ' OD1' ' A' ' 86' ' ' ASP . 2.9 mt -81.55 -56.59 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -67.14 178.4 1.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.09 -56.64 2.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -104.52 175.65 5.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -83.42 160.22 21.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -114.8 170.56 8.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.977 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -122.59 98.68 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HE3' HG22 ' A' ' 41' ' ' VAL . 6.1 mmtt -123.11 175.16 6.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.537 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 1.4 ttt-85 -138.58 147.05 42.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 39.7 m-85 -152.38 147.58 26.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -73.52 146.23 45.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 71' ' ' LEU . 5.1 mtt180 -73.04 -2.69 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.77 2.61 44.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 29' ' ' LEU . 8.6 mt -80.82 118.4 22.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.652 HG22 ' CD2' ' A' ' 70' ' ' LEU . 29.1 p -64.36 133.39 52.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.632 HG22 ' HE3' ' A' ' 35' ' ' LYS . 24.3 mm -37.87 -38.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.667 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -63.36 -54.25 39.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.8 mm-40 -60.78 -53.52 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.08 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.944 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -38.7 -55.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.632 ' HE3' HG22 ' A' ' 31' ' ' ILE . 46.2 mttt -52.79 -46.08 67.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -46.63 -35.55 6.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.323 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 8.0 mptt -77.5 -40.54 42.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.944 HD21 ' CE1' ' A' ' 34' ' ' PHE . 23.4 mt -65.65 -27.91 68.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.515 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 48.7 mt-10 -44.5 -36.3 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.584 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -82.32 -38.84 23.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG22 ' HE3' ' A' ' 23' ' ' LYS . 95.8 t -55.5 -44.62 76.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -102.09 -7.57 9.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 60.24 25.02 61.88 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -122.98 168.48 11.98 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 109.952 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 133.85 16.95 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.527 1.804 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -64.5 -12.72 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.0 5.59 48.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.972 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' HIS . 35.4 m -139.74 30.11 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 108.274 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.445 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -150.66 134.34 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -102.29 171.43 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.752 HD21 ' CD1' ' A' ' 38' ' ' LEU . 82.0 mt -123.41 165.81 16.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -153.73 149.83 27.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.637 HD13 ' CG2' ' A' ' 76' ' ' VAL . 15.9 tp -116.32 101.93 9.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.56 ' CE2' ' NH2' ' A' ' 81' ' ' ARG . 8.2 m-85 -94.6 143.8 26.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.448 ' HA3' ' CG ' ' A' ' 59' ' ' LYS . . . -74.47 -132.71 0.26 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.36 -72.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -75.08 57.77 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER 39.67 65.89 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.448 ' CG ' ' HA3' ' A' ' 55' ' ' GLY . 1.6 ptmt -119.06 102.65 8.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 2.5 t80 -55.61 139.17 45.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 53' ' ' LEU . 2.4 m-30 -117.74 -54.93 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.52 177.72 9.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.431 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -118.94 128.82 54.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.607 HD12 ' CE2' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -85.61 74.52 10.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.84 -44.04 4.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.31 117.86 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.241 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.667 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -76.12 -40.62 52.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -17.42 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.04 168.68 18.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.652 ' CD2' HG22 ' A' ' 30' ' ' THR . 1.8 mt -139.82 145.62 38.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.481 ' HA ' HD23 ' A' ' 71' ' ' LEU . 1.5 mt -55.18 117.86 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 131.03 -53.17 0.81 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.76 -27.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 0.78 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CE2' HD12 ' A' ' 64' ' ' LEU . 40.3 m-85 -85.62 166.54 29.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.431 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -74.99 55.51 3.97 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.637 ' CG2' HD13 ' A' ' 53' ' ' LEU . 9.9 p -121.11 169.5 12.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.481 ' H ' HG22 ' A' ' 76' ' ' VAL . 3.7 m-20 -167.42 165.45 14.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.9 OUTLIER -61.17 101.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 141.46 -21.78 2.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.14 -172.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.56 ' NH2' ' CE2' ' A' ' 54' ' ' TYR . 32.1 ttp180 -131.81 138.6 48.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.764 ' HB ' HD13 ' A' ' 12' ' ' ILE . 4.4 mm -112.03 99.87 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -82.84 116.98 22.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.569 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.479 HG22 HD23 ' A' ' 51' ' ' LEU . 77.2 t -93.21 125.63 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 72.9 mt -95.81 102.78 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.553 ' OD1' HD11 ' A' ' 16' ' ' LEU . 36.9 t70 -60.06 106.65 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' CYS . 18.1 m-70 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.449 ' CG2' ' HG3' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -134.06 130.6 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.1 mtp -93.8 110.37 22.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 m -114.3 150.79 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -92.26 102.84 15.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.799 HD13 ' HB ' ' A' ' 82' ' ' ILE . 3.9 mm -84.09 140.42 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.5 p -150.16 165.63 32.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.472 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 22.5 p -155.07 150.82 27.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -58.03 -24.62 59.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.51 -55.42 27.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -100.68 116.56 32.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.87 70.68 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -177.18 -178.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 3.8 mpt_? -123.76 135.48 53.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -101.07 169.24 9.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -122.55 98.55 5.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -120.94 173.85 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -136.65 145.71 45.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.441 ' CE1' ' HB3' ' A' ' 37' ' ' LYS . 72.7 m-85 -154.52 151.26 28.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.8 t -71.71 144.56 49.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.449 ' HG3' ' CG2' ' A' ' 8' ' ' VAL . 13.8 mtm180 -72.89 -4.61 32.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.13 -7.32 45.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.581 HD13 ' HD3' ' A' ' 37' ' ' LYS . 9.0 mt -70.95 120.69 16.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.796 HG22 ' CD2' ' A' ' 70' ' ' LEU . 14.0 p -70.75 136.43 48.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.593 HG22 ' HE3' ' A' ' 35' ' ' LYS . 12.7 mm -36.0 -46.76 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -54.5 -54.55 39.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.5 mm-40 -62.3 -52.31 64.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.593 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.7 t80 -42.7 -51.22 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.813 ' CG ' HD11 ' A' ' 51' ' ' LEU . 25.7 mttt -54.01 -36.54 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -59.31 -34.83 72.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 108.316 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.581 ' HD3' HD13 ' A' ' 29' ' ' LEU . 2.9 mptt -71.86 -33.7 68.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.593 HD21 ' CE1' ' A' ' 34' ' ' PHE . 19.1 mt -70.95 -28.36 64.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.667 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 37.4 mt-10 -50.6 -27.93 7.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -93.07 -30.21 15.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 37' ' ' LYS . 47.0 t -66.16 -51.6 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 38' ' ' LEU . 1.6 m -92.0 -17.05 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.34 3.64 66.52 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -101.85 172.09 4.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.2 22.64 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.545 1.813 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.667 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . . . -75.39 -1.23 22.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.09 4.6 44.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 87' ' ' HIS . 69.4 m -141.48 26.43 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 49' ' ' MET . 0.4 OUTLIER -142.78 128.18 18.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.14 159.91 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.813 HD11 ' CG ' ' A' ' 35' ' ' LYS . 17.2 mt -111.39 166.08 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.529 ' O ' HD13 ' A' ' 82' ' ' ILE . 27.9 mt-10 -153.3 150.0 28.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.515 ' HB2' HD21 ' A' ' 64' ' ' LEU . 46.2 tp -123.89 126.92 47.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -116.41 154.47 30.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . -62.7 -131.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.7 -71.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 12.5 t70 -49.01 -54.61 14.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER 154.82 45.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -106.97 114.36 28.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -50.36 137.44 18.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.473 ' CE2' ' HA2' ' A' ' 55' ' ' GLY . 4.3 m-30 -114.16 -72.49 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 53' ' ' LEU . 3.7 m -143.28 172.87 12.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -110.41 135.85 50.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -88.73 74.08 8.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.5 -41.55 6.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.471 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -50.08 110.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 13.2 mt-10 -74.22 -25.59 59.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.0 0.04 46.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -92.23 160.49 15.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.796 ' CD2' HG22 ' A' ' 30' ' ' THR . 9.4 mt -126.29 147.42 49.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 71' ' ' LEU . 1.3 mt -60.05 112.72 1.99 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 138.9 -56.95 0.63 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.63 -26.16 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.469 ' CD2' HD12 ' A' ' 64' ' ' LEU . 36.5 m-85 -87.16 168.49 17.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.97 55.23 3.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.561 HG22 ' H ' ' A' ' 77' ' ' ASP . 6.3 p -102.78 172.33 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.561 ' H ' HG22 ' A' ' 76' ' ' VAL . 7.1 p-10 -177.86 147.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -49.42 101.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 132.75 -7.93 5.22 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.0 p -58.22 -162.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -152.29 113.55 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.799 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.9 mm -94.16 107.24 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -91.73 102.21 14.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.616 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.448 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 91.6 t -78.29 120.95 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.404 HD11 ' CD ' ' A' ' 52' ' ' GLU . 58.4 mt -93.35 102.86 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.7 104.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.609 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.427 ' CG2' ' HG3' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -143.62 134.58 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' GLY . 2.0 mtp -93.55 118.12 30.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.69 151.88 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -92.01 102.53 15.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.915 HD13 ' HB ' ' A' ' 82' ' ' ILE . 4.9 mm -84.17 131.52 33.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 0.0 109.352 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 p -130.13 175.73 8.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.448 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 52.4 p -159.61 143.47 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -17.08 64.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.844 HD11 ' OD1' ' A' ' 86' ' ' ASP . 2.6 mt -75.22 -58.75 3.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -87.05 119.8 27.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.2 m -74.3 64.09 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 t80 178.85 160.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -102.66 149.16 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -112.12 168.82 9.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -123.0 98.94 6.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HE3' HG22 ' A' ' 41' ' ' VAL . 3.6 mmtt -123.9 175.82 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -138.53 145.21 40.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.468 ' OH ' HG21 ' A' ' 41' ' ' VAL . 30.4 m-85 -147.0 148.71 31.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 t -70.51 144.97 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 71' ' ' LEU . 9.7 mtt180 -75.46 -0.48 20.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.36 2.72 31.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.5 mt -77.8 122.86 25.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.59 HG22 ' CD2' ' A' ' 70' ' ' LEU . 40.1 p -64.55 129.03 38.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.616 HG21 ' O ' ' A' ' 66' ' ' GLN . 47.1 mm -35.67 -40.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -62.05 -56.87 14.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.2 mm-40 -57.79 -45.98 85.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 1.006 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.6 t80 -47.92 -51.49 23.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.641 ' CG ' HD11 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -55.47 -37.17 67.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.32 -30.36 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -75.64 -31.5 59.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.006 HD21 ' CE1' ' A' ' 34' ' ' PHE . 15.0 mt -76.96 -27.11 54.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.632 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 34.0 mt-10 -45.81 -35.92 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.07 -30.01 20.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.512 HG11 HG21 ' A' ' 12' ' ' ILE . 85.1 t -60.29 -41.9 88.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -106.92 -18.83 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 80.08 2.76 89.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -99.14 165.72 14.33 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 109.97 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.62 16.75 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.632 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . . . -68.41 -21.19 64.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 59.7 p -77.91 0.56 23.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' HIS . 66.3 m -140.11 29.49 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.444 ' SD ' HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -146.42 127.9 15.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.979 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.23 173.45 7.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.763 HD21 HD12 ' A' ' 38' ' ' LEU . 85.1 mt -125.23 152.99 43.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.425 ' O ' HD13 ' A' ' 82' ' ' ILE . 2.0 mt-10 -137.81 145.16 41.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.5 tp -119.49 111.99 18.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -106.62 151.51 24.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.49 -133.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.66 -71.83 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -55.71 -50.74 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 1.6 p30 155.02 47.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -98.81 115.33 28.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.9 128.09 35.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -106.72 -61.93 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.59 171.72 17.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.43 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -114.7 128.04 56.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.605 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -69.2 65.56 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 63' ' ' LYS . 2.4 t70 -73.04 -53.55 10.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.616 ' O ' HG21 ' A' ' 31' ' ' ILE . 7.3 tp60 -45.13 138.14 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 14.9 mt-10 -98.55 -38.78 9.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -11.39 60.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -66.59 168.9 8.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.59 ' CD2' HG22 ' A' ' 30' ' ' THR . 5.6 mt -132.28 150.31 52.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 27' ' ' ARG . 1.6 mt -67.55 101.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.7 -42.59 0.67 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.105 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -16.25 25.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.553 ' CE2' HD12 ' A' ' 64' ' ' LEU . 53.4 m-85 -98.97 165.31 15.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 57.4 4.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 111.042 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.441 HG23 ' SG ' ' A' ' 80' ' ' CYS . 9.3 p -109.29 154.26 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -150.26 165.08 34.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.78 98.28 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 136.41 -9.82 4.07 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' A' ' 76' ' ' VAL . 11.8 p -57.34 -165.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 81' ' ' ARG . 22.3 ttm105 -143.64 111.12 5.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.915 ' HB ' HD13 ' A' ' 12' ' ' ILE . 6.4 mm -98.05 105.32 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -92.58 126.25 37.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.635 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.444 HG13 ' SD ' ' A' ' 49' ' ' MET . 20.0 t -90.83 120.3 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.3 mt -88.67 102.73 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.844 ' OD1' HD11 ' A' ' 16' ' ' LEU . 11.6 t0 -58.8 100.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.5 m-70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.592 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.442 ' CG2' ' HG3' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -145.59 139.63 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.1 ttm -92.72 122.93 35.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.639 HG12 ' SG ' ' A' ' 80' ' ' CYS . 32.7 m -130.22 143.07 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -91.87 104.28 16.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.546 HG21 HG11 ' A' ' 41' ' ' VAL . 19.8 mm -84.16 135.5 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.6 p -146.67 144.08 29.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.99 158.51 43.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.64 19.1 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 86' ' ' ASP . 6.7 mt -93.01 -65.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -101.6 133.66 45.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -71.0 74.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -174.32 160.11 3.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -99.27 163.53 12.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -126.29 127.83 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.046 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -110.67 99.05 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -126.65 -179.42 4.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -136.83 143.16 42.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -138.82 -178.74 5.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.593 ' H ' HD12 ' A' ' 29' ' ' LEU . 23.3 t -105.32 145.69 30.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.442 ' HG3' ' CG2' ' A' ' 8' ' ' VAL . 30.9 mtm180 -75.35 -4.45 39.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.1 m -102.85 4.18 37.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.593 HD12 ' H ' ' A' ' 26' ' ' SER . 6.5 mt -80.0 124.56 28.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.569 ' HA ' HD23 ' A' ' 70' ' ' LEU . 63.1 p -65.61 128.82 37.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.814 HG22 ' HE3' ' A' ' 35' ' ' LYS . 48.0 mm -35.2 -43.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -57.64 -57.47 12.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.8 mm-40 -56.76 -53.16 60.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -40.73 -45.8 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.814 ' HE3' HG22 ' A' ' 31' ' ' ILE . 20.2 mttt -60.9 -45.75 93.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.4 t -48.97 -36.82 18.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.268 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.449 ' NZ ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.56 -38.47 77.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.475 ' O ' HG22 ' A' ' 42' ' ' VAL . 40.1 mt -67.11 -37.96 84.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.731 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 34.0 mt-10 -39.19 -34.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.5 mt -88.52 -41.83 12.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.546 HG11 HG21 ' A' ' 12' ' ' ILE . 90.8 t -49.88 -40.93 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -103.77 -32.42 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 90.75 15.26 56.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.443 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -114.5 175.11 2.0 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.974 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.04 138.11 22.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.451 1.764 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.806 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -78.96 -20.02 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.85 5.58 18.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.6 m -123.66 -58.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.312 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.569 ' SD ' HG13 ' A' ' 84' ' ' VAL . 7.6 ptp -55.05 149.31 12.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.496 ' C ' HD23 ' A' ' 51' ' ' LEU . 6.6 tp10 -108.51 157.06 18.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.748 HD11 ' CG ' ' A' ' 35' ' ' LYS . 6.4 mt -107.52 157.74 17.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 21.5 mt-10 -153.16 138.3 17.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 76' ' ' VAL . 59.6 tp -112.25 111.45 22.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 68.2 m-85 -106.26 144.31 33.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.927 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.36 -122.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.65 -70.26 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 0.777 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ASP . 61.4 t0 -73.73 58.07 0.61 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 7.2 t0 38.34 55.45 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -108.74 112.73 25.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -58.94 135.71 57.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -111.11 -70.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.0 t -142.43 177.15 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.96 129.8 55.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.513 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -82.6 61.41 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.63 -50.5 6.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.885 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 2.9 tp-100 -41.33 107.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.482 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 2.2 mt-10 -76.05 -27.43 57.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.39 6.12 24.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.885 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -93.89 166.95 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 30' ' ' THR . 8.2 mt -129.84 151.85 49.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 71' ' ' LEU . 1.2 mt -64.61 109.78 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 142.75 -56.68 0.57 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.0 -25.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.441 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 31.8 m-85 -86.16 169.4 15.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.02 55.23 3.89 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.538 HG22 ' H ' ' A' ' 77' ' ' ASP . 5.8 p -107.23 171.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.538 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.6 p30 -174.98 144.55 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.1 111.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 80' ' ' CYS . . . 119.58 -5.99 12.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.097 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.639 ' SG ' HG12 ' A' ' 10' ' ' VAL . 9.2 p -55.81 -168.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -148.99 111.42 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.503 ' HB ' HD13 ' A' ' 12' ' ' ILE . 5.2 mm -99.46 116.48 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -96.95 130.04 44.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.569 HG13 ' SD ' ' A' ' 49' ' ' MET . 78.1 t -101.82 112.57 35.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.492 HD12 ' HB3' ' A' ' 50' ' ' GLU . 64.5 mt -82.48 103.03 9.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.43 ' HB3' HD21 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -54.38 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.561 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.512 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -141.09 129.07 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 109.312 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.5 mtt -81.82 114.69 20.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.2 m -122.59 152.59 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -91.81 102.76 15.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.631 HD13 ' HB ' ' A' ' 82' ' ' ILE . 9.7 mm -84.82 130.73 35.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.438 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -131.66 175.76 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.986 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.443 ' CB ' HG12 ' A' ' 42' ' ' VAL . 1.6 p -170.15 148.2 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -21.83 66.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 86' ' ' ASP . 3.3 mt -67.14 -50.15 62.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -77.84 166.95 22.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 t -92.08 -41.89 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.6 -166.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.438 ' CG ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -99.83 159.81 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.367 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -111.46 168.98 9.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.65 98.48 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -122.32 173.7 7.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.19 147.53 43.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -153.45 142.73 21.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.2 t -69.47 148.44 49.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.512 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.7 mtt180 -73.26 -2.48 22.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.348 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.1 p -100.13 -5.12 28.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.518 ' HA ' HD23 ' A' ' 29' ' ' LEU . 6.7 mt -71.4 114.0 9.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.786 HG22 ' CD2' ' A' ' 70' ' ' LEU . 72.4 p -58.92 134.42 56.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.573 HG21 ' O ' ' A' ' 66' ' ' GLN . 44.1 mm -37.42 -42.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -59.89 -54.34 47.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.7 mm-40 -62.4 -42.74 99.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.8 t80 -49.19 -44.64 43.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' CG ' HD11 ' A' ' 51' ' ' LEU . 3.6 mttm -66.32 -46.37 77.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -28.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.675 ' O ' HD22 ' A' ' 40' ' ' LEU . 19.0 mmtt -79.11 -50.94 10.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.83 HD12 HD21 ' A' ' 51' ' ' LEU . 17.8 mt -55.25 -27.06 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' GLY . 82.3 mt-10 -44.65 -57.44 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.817 ' N ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -66.16 -40.3 90.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.6 t -49.07 -63.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.2 m -82.65 -8.78 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . 65.43 27.03 72.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -125.69 167.59 16.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.966 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 138.5 22.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' CB ' ' OE2' ' A' ' 39' ' ' GLU . . . -62.2 -17.0 56.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.59 2.19 49.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 87' ' ' HIS . 63.6 m -137.27 38.01 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.436 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -153.08 137.8 16.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 111.018 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.75 159.89 16.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.83 HD21 HD12 ' A' ' 38' ' ' LEU . 18.7 mt -114.0 149.97 34.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -143.37 139.71 30.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.337 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.557 ' CD1' HG23 ' A' ' 76' ' ' VAL . 38.1 tp -112.32 116.98 31.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -107.72 154.1 21.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . -65.0 -124.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.161 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.69 -70.4 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -54.12 -52.06 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER 155.46 46.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 55' ' ' GLY . 22.8 tttt -102.56 114.1 28.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -59.87 136.56 58.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -109.47 -70.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.1 t -146.66 -176.91 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.7 mttp -116.53 142.56 46.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.511 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -91.11 59.71 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -71.99 -54.48 9.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.573 ' O ' HG21 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -43.27 126.42 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.632 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 3.2 pt-20 -93.74 -36.64 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.44 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -69.62 -8.61 49.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -75.48 177.5 6.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.786 ' CD2' HG22 ' A' ' 30' ' ' THR . 2.6 mt -139.26 155.64 47.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.358 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 27' ' ' ARG . 1.9 mt -70.21 105.32 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 147.69 -45.61 0.74 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.5 -22.27 42.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 110.008 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -91.57 165.76 20.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.557 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.02 55.3 3.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.557 HG23 ' CD1' ' A' ' 53' ' ' LEU . 8.9 p -119.08 168.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.438 ' H ' HG22 ' A' ' 76' ' ' VAL . 20.4 m-20 -170.98 166.46 7.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 9' ' ' MET . 1.1 p-10 -62.42 102.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 138.51 -25.51 2.85 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.6 -170.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -136.13 121.0 18.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.631 ' HB ' HD13 ' A' ' 12' ' ' ILE . 19.1 mm -107.69 105.52 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -86.89 140.69 29.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.549 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.436 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 31.7 t -112.67 106.07 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.365 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.7 mt -78.46 102.77 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.598 ' HB3' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.03 97.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 48' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.555 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -143.94 137.65 24.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 0.794 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 ttm -93.49 111.98 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 m -122.8 143.73 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -92.37 105.18 17.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.768 HD13 ' HB ' ' A' ' 82' ' ' ILE . 8.8 mm -83.58 133.39 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.72 165.37 26.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.0 p -165.06 153.87 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.003 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -7.62 50.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.852 HD11 ' HB3' ' A' ' 86' ' ' ASP . 0.4 OUTLIER -88.8 -45.82 9.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.89 -27.22 25.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m 70.75 -66.62 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.04 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -58.81 174.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 143.16 26.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.7 OUTLIER -107.34 142.38 37.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -113.89 98.83 7.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HE3' HG22 ' A' ' 41' ' ' VAL . 1.5 mmtm -127.57 -179.28 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 ttt-85 -138.41 146.41 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.569 ' OH ' HG21 ' A' ' 41' ' ' VAL . 87.5 m-85 -149.08 178.21 8.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 t -102.71 147.7 26.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.555 ' HG2' HG21 ' A' ' 8' ' ' VAL . 5.7 mtp180 -74.96 -1.3 21.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.82 -7.48 23.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.3 mt -67.35 109.49 3.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.716 HG22 ' CD2' ' A' ' 70' ' ' LEU . 43.6 p -56.13 133.43 52.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' A' ' 64' ' ' LEU . 44.7 mm -36.62 -42.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.843 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -61.87 -54.81 36.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.8 mm-40 -59.68 -44.02 93.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.935 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.5 t80 -48.41 -46.24 37.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.709 ' CG ' HD11 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -61.63 -49.92 74.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.72 -29.36 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.356 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -77.26 -51.14 11.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.935 HD21 ' CE1' ' A' ' 34' ' ' PHE . 17.5 mt -53.63 -28.45 32.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.538 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 31.7 mt-10 -47.41 -31.59 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.247 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -92.25 -25.95 18.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.662 HG11 HG21 ' A' ' 12' ' ' ILE . 44.9 t -71.06 -42.07 76.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -103.12 -8.43 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.94 21.25 60.98 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.456 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -118.68 168.88 8.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.933 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 136.19 20.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.553 1.817 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . . . -71.66 -5.77 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.75 4.7 52.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' HIS . 57.7 m -144.11 33.33 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.308 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.443 ' SD ' HG11 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -148.4 129.95 14.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -96.83 159.14 15.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.724 HD21 HD12 ' A' ' 38' ' ' LEU . 39.5 mt -115.37 141.55 47.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.553 ' CD ' HD11 ' A' ' 85' ' ' ILE . 9.4 mt-10 -132.87 148.48 52.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.703 HD21 ' O ' ' A' ' 75' ' ' PRO . 18.3 tp -119.22 107.73 13.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -101.2 154.53 18.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.16 -120.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.74 -69.59 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.746 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 4.1 m-20 -63.57 -47.49 81.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 2.7 t70 159.11 72.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -127.03 95.11 4.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -53.77 138.8 34.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -114.65 -78.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.14 171.06 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -108.64 132.93 53.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.587 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -76.96 57.12 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -66.58 -52.6 43.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.549 ' O ' HG21 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -52.22 123.71 11.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.843 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 3.7 pt-20 -89.26 -35.77 15.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.441 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -67.11 -15.27 63.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.541 ' HB3' HG13 ' A' ' 31' ' ' ILE . . . -70.03 173.81 6.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.716 ' CD2' HG22 ' A' ' 30' ' ' THR . 0.7 OUTLIER -135.81 160.88 37.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 27' ' ' ARG . 2.1 mt -75.12 104.79 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 148.14 -44.52 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -15.79 59.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 110.028 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CE2' HD12 ' A' ' 64' ' ' LEU . 20.3 m-85 -94.11 168.42 11.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.703 ' O ' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 54.43 3.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.588 HG23 ' CD1' ' A' ' 53' ' ' LEU . 8.9 p -122.96 168.3 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.439 ' H ' HG22 ' A' ' 76' ' ' VAL . 27.3 t0 -174.96 164.15 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -51.89 117.56 2.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 117.01 -24.9 9.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.6 m -55.62 -172.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -137.57 142.31 41.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.768 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.7 mm -121.15 102.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -89.94 119.29 30.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.603 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.443 HG11 ' SD ' ' A' ' 49' ' ' MET . 58.6 t -94.04 126.66 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.553 HD11 ' CD ' ' A' ' 52' ' ' GLU . 35.4 mt -96.93 103.82 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.852 ' HB3' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -57.24 106.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.4 m-70 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.631 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.66 131.58 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.2 mtt -89.74 112.66 24.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.1 m -120.46 153.72 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -91.95 103.38 15.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.803 HD13 ' HB ' ' A' ' 82' ' ' ILE . 12.0 mm -85.65 139.38 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.465 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 94.2 p -140.24 177.88 7.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.52 ' HB3' HG12 ' A' ' 42' ' ' VAL . 21.8 p -163.84 137.24 5.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -24.23 67.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 86' ' ' ASP . 1.3 mt -63.08 -50.08 71.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -99.0 127.39 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.01 60.11 1.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 179.54 161.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -105.93 163.71 12.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.27 173.04 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -122.11 98.01 5.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 10.1 mmtt -113.85 177.1 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 5.2 ttt-85 -138.51 146.86 42.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.56 ' OH ' HG21 ' A' ' 41' ' ' VAL . 35.0 m-85 -153.76 148.47 26.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.9 t -73.99 146.93 43.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 6.5 mtt180 -74.76 -1.66 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 m -103.09 -0.39 30.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.072 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.1 mt -74.38 120.66 20.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' GLU . 62.1 p -64.11 131.02 46.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.479 ' CG2' ' HE3' ' A' ' 35' ' ' LYS . 49.1 mm -37.64 -42.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -59.55 -53.21 60.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.2 mm-40 -61.39 -54.71 40.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.884 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.6 t80 -37.34 -58.21 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.623 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 71.9 mttt -50.17 -44.56 52.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.4 t -54.04 -37.7 64.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -70.21 -31.71 69.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.884 HD21 ' CE1' ' A' ' 34' ' ' PHE . 25.6 mt -74.96 -28.33 60.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 44' ' ' SER . 74.3 mt-10 -48.82 -26.88 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.645 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -93.49 -25.86 17.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.56 HG21 ' OH ' ' A' ' 25' ' ' TYR . 32.9 t -72.79 -47.75 48.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.701 HG11 HG11 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -92.92 -32.48 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 93.81 -6.95 73.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -95.36 162.92 23.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 136.54 20.61 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.623 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -65.96 -11.44 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.69 -3.35 58.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' HIS . 83.1 m -137.61 29.06 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.516 ' SD ' HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -145.28 131.18 19.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.465 ' HB3' HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -99.6 168.17 10.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.301 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.439 HD11 ' HG2' ' A' ' 35' ' ' LYS . 51.3 mt -124.35 155.86 38.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.61 ' HG3' HD11 ' A' ' 85' ' ' ILE . 3.2 mm-40 -140.09 140.85 36.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.52 HD13 HG23 ' A' ' 76' ' ' VAL . 15.3 tp -112.31 108.68 17.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 76.2 m-85 -103.82 143.3 33.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.476 ' HA3' ' CG ' ' A' ' 59' ' ' LYS . . . -67.96 -123.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.118 . . . . 0.0 111.057 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.36 -70.69 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 58' ' ' ASP . 46.3 p-10 -74.79 58.03 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 57' ' ' ASP . 22.6 t70 39.98 65.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' CG ' ' HA3' ' A' ' 55' ' ' GLY . 12.3 ptmt -117.42 109.3 16.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.601 ' CE1' ' OE2' ' A' ' 52' ' ' GLU . 34.8 t80 -60.17 133.91 56.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.401 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 3.6 m-30 -114.42 -65.3 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.77 169.05 24.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -104.74 143.05 33.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.424 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -86.28 73.52 10.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -94.54 -51.67 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.546 ' CG ' ' HB2' ' A' ' 69' ' ' ALA . 30.8 tp60 -41.32 104.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -75.99 -21.85 56.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.265 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.21 6.88 40.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.546 ' HB2' ' CG ' ' A' ' 66' ' ' GLN . . . -95.08 164.41 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.42 ' CD2' HG22 ' A' ' 30' ' ' THR . 4.0 mt -125.55 148.45 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.5 mt -64.3 101.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.69 -45.26 0.6 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.32 -21.64 50.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 110.03 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -90.64 166.45 19.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.56 3.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.52 HG23 HD13 ' A' ' 53' ' ' LEU . 4.9 p -115.65 167.91 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.5 p30 -170.97 159.77 6.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.72 102.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 135.17 -13.13 4.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.442 1.089 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.496 ' SG ' ' CG2' ' A' ' 76' ' ' VAL . 9.3 p -58.78 -164.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -146.77 111.02 5.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.803 ' HB ' HD13 ' A' ' 12' ' ' ILE . 4.2 mm -96.73 113.43 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -98.65 124.35 43.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.628 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.701 HG11 HG11 ' A' ' 42' ' ' VAL . 32.5 t -92.19 116.34 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.61 HD11 ' HG3' ' A' ' 52' ' ' GLU . 16.0 mt -89.73 102.9 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.572 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -55.59 102.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.597 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.58 150.74 2.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 110.045 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.01 122.57 11.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.2 109.87 2.15 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -165.11 86.33 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 0.736 . . . . 0.0 109.958 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.39 151.5 0.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.08 -150.97 7.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.614 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -137.27 133.67 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.408 ' O ' ' HA ' ' A' ' 78' ' ' ASP . 2.7 mtt -81.99 118.28 22.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.0 m -127.79 150.14 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -92.32 103.1 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.852 HD13 ' HB ' ' A' ' 82' ' ' ILE . 4.8 mm -84.26 138.99 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 t -134.18 179.35 6.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.497 ' CB ' HG12 ' A' ' 42' ' ' VAL . 44.4 p -173.51 134.08 0.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -50.99 -23.88 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.964 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.629 HD11 ' HB2' ' A' ' 86' ' ' ASP . 0.5 OUTLIER -71.7 -49.2 41.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.33 143.54 33.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -59.27 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.976 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -101.6 173.08 6.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.52 157.99 23.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.6 m -105.6 171.29 7.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -122.84 99.59 6.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -125.29 177.4 6.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -138.72 147.2 42.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -153.32 142.61 21.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.4 t -68.34 147.92 51.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.614 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.9 mtt180 -72.44 -3.89 26.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.26 -5.75 39.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.49 ' HA ' HD23 ' A' ' 29' ' ' LEU . 7.1 mt -72.53 106.66 4.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.661 HG22 HD23 ' A' ' 70' ' ' LEU . 3.1 p -56.11 136.8 52.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.443 HG21 ' O ' ' A' ' 64' ' ' LEU . 36.7 mm -37.33 -48.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.9 -52.45 64.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.7 mm-40 -62.45 -48.8 78.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.696 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -43.81 -46.51 7.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.855 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -61.34 -47.2 86.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.16 -29.7 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 108.309 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' N ' ' C ' ' A' ' 35' ' ' LYS . 4.2 mmtt -77.86 -56.54 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.696 HD21 ' CE1' ' A' ' 34' ' ' PHE . 9.2 mt -48.04 -27.02 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.687 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 24.3 mt-10 -51.11 -30.6 16.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.9 mt -93.27 -22.36 19.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.6 t -74.68 -58.4 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.2 m -85.05 -16.12 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 72.56 5.9 64.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.426 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -103.78 173.83 3.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 110.007 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -74.99 132.51 15.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.855 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -72.69 -18.99 61.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.1 6.1 17.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.7 m -127.51 -59.63 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 108.27 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.493 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.2 ptp -52.73 152.26 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.432 ' HB3' HD12 ' A' ' 85' ' ' ILE . 2.1 tp10 -117.48 157.17 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.353 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.625 ' CD2' HD12 ' A' ' 38' ' ' LEU . 14.8 mt -112.97 154.15 26.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.619 ' CD ' HD11 ' A' ' 85' ' ' ILE . 46.6 mt-10 -144.94 139.5 27.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.708 HD13 HG23 ' A' ' 76' ' ' VAL . 7.6 tp -107.45 98.85 8.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -94.72 141.54 28.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.35 -142.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.24 -73.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 0.794 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' ASP . 11.8 t0 -74.64 58.08 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' ASP . 19.1 m-20 39.62 75.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.98 96.25 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -48.17 137.33 10.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -114.58 -74.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.81 174.43 10.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -109.32 143.11 39.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.476 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -90.65 63.3 5.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -81.83 -42.8 19.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.458 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.9 OUTLIER -53.04 114.0 1.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -90.28 -26.44 20.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.45 11.32 14.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -99.3 158.25 15.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.661 HD23 HG22 ' A' ' 30' ' ' THR . 18.3 mt -106.18 134.06 49.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.441 ' O ' ' CA ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -56.05 101.14 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.59 -44.93 0.58 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 p -51.13 -22.08 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.029 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.465 ' CE2' HD12 ' A' ' 64' ' ' LEU . 25.2 m-85 -84.88 167.69 25.04 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.68 4.01 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.545 1.813 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.708 HG23 HD13 ' A' ' 53' ' ' LEU . 5.0 p -117.52 172.16 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.52 ' H ' HG22 ' A' ' 76' ' ' VAL . 18.1 m-20 -173.58 161.16 3.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.361 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.4 OUTLIER -58.59 96.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.33 -16.22 2.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.32 -172.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -131.49 130.43 42.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.852 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.0 mm -111.33 101.52 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -88.39 110.63 20.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.587 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG2' HD13 ' A' ' 38' ' ' LEU . 46.4 t -84.99 117.7 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.619 HD11 ' CD ' ' A' ' 52' ' ' GLU . 53.8 mt -87.49 102.69 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.629 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -64.03 101.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -87.11 -24.57 24.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.628 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 t -57.55 -57.88 10.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.43 -76.84 0.26 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.75 158.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 0.737 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 165.52 -85.58 0.1 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -52.59 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 t -74.96 155.98 36.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.65 -60.04 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -81.87 99.39 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.76 . . . . 0.0 109.951 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -153.55 118.5 5.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.37 91.82 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.46 -45.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 m -160.62 146.76 15.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.565 1.166 . . . . 0.0 109.964 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.38 148.29 18.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.62 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -128.03 126.14 65.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.453 0.737 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.0 OUTLIER -75.9 105.79 7.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.8 m -117.84 149.71 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -92.52 103.16 15.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.66 HD13 ' HB ' ' A' ' 82' ' ' ILE . 9.7 mm -84.55 133.71 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 t -131.37 171.15 13.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 110.019 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.2 p -158.08 146.88 19.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -4.51 38.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.67 HD11 ' OD1' ' A' ' 86' ' ' ASP . 4.1 mt -76.59 -50.09 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -111.86 135.48 52.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.3 m -79.41 68.61 5.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.03 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -179.74 159.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -103.79 151.06 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -108.59 167.06 10.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.017 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -122.89 99.61 6.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -125.46 177.16 6.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 3.0 ttt180 -136.49 144.24 44.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.497 ' OH ' HG21 ' A' ' 41' ' ' VAL . 75.7 m-85 -149.3 142.31 24.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 28' ' ' SER . 5.8 t -72.24 125.92 28.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.027 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.62 ' HG2' HG21 ' A' ' 8' ' ' VAL . 1.2 mtt85 -46.51 -23.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.414 ' N ' ' C ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -65.56 -37.43 86.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.054 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 29' ' ' LEU . 9.2 mt -42.6 111.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.846 HG22 ' CD2' ' A' ' 70' ' ' LEU . 80.4 p -64.44 137.39 57.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 30' ' ' THR . 38.2 mm -34.41 -41.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -63.3 -58.88 5.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.3 mm-40 -56.88 -42.22 79.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.709 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -49.16 -47.78 45.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.848 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 2.1 mttm -62.4 -47.93 81.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -48.34 -30.16 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 108.325 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -76.43 -48.76 18.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.709 HD21 ' CE1' ' A' ' 34' ' ' PHE . 30.2 mt -59.25 -33.36 70.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.788 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 25.2 mt-10 -39.43 -35.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.264 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.8 mt -87.29 -50.02 6.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.497 HG21 ' OH ' ' A' ' 25' ' ' TYR . 79.4 t -41.09 -37.37 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -111.0 -19.17 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 73.58 21.47 79.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -116.65 174.46 2.46 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.754 . . . . 0.0 110.015 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.4 Cg_endo -74.94 135.4 19.15 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.549 1.815 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.848 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -77.58 -20.14 54.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.24 0.51 24.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.8 m -118.11 -66.08 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.26 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 8.3 ptp -44.35 154.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -116.45 161.87 18.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.55 HD21 HD12 ' A' ' 38' ' ' LEU . 21.9 mt -114.44 143.3 45.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -141.87 131.55 24.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.637 HD13 ' CG2' ' A' ' 76' ' ' VAL . 12.1 tp -104.76 107.14 17.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -91.87 147.4 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . -74.49 -144.13 0.91 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.422 1.076 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.7 -66.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 58' ' ' ASP . 9.0 t0 -77.44 55.28 1.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' ASP . 29.0 m-20 37.96 78.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.5 tttm -138.23 107.43 6.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -53.06 139.83 27.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -112.32 -80.19 0.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.45 178.1 6.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.53 132.31 53.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -88.49 66.85 8.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.36 -48.25 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.891 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 4.3 tp60 -40.69 107.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -73.61 -42.22 61.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -12.18 31.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.891 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -81.68 153.39 26.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.846 ' CD2' HG22 ' A' ' 30' ' ' THR . 24.7 mt -113.06 134.76 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -54.09 101.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.0 -50.23 0.51 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.45 -23.51 1.58 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -82.57 166.89 33.64 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.82 3.74 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.637 ' CG2' HD13 ' A' ' 53' ' ' LEU . 9.7 p -124.13 166.72 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -171.84 165.99 6.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -57.43 103.48 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 137.38 -18.68 3.45 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.515 1.135 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 5.6 m -68.43 -173.36 0.42 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.89 129.21 36.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.272 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.66 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.8 mm -108.79 100.47 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -82.92 105.41 13.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.623 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 38.8 t -85.52 103.03 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.3 mt -74.07 103.76 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.67 ' OD1' HD11 ' A' ' 16' ' ' LEU . 37.0 t70 -59.43 105.43 0.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -99.06 15.68 25.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.634 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.0 88.31 2.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -143.88 91.52 0.16 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -60.51 151.16 29.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -116.8 177.9 16.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 67.0 6.03 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.493 1.786 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.47 157.96 20.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.42 106.22 5.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.961 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t 63.93 99.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -109.13 103.33 12.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.026 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.16 -124.56 0.76 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.102 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -41.52 150.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.8 p -123.53 78.37 1.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.55 -148.78 25.29 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.442 1.089 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.685 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -142.01 132.92 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.781 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.41 ' O ' ' HA ' ' A' ' 78' ' ' ASP . 1.4 mpp? -94.5 115.72 27.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.7 m -120.34 151.4 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -94.4 103.05 15.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.784 HD13 ' HB ' ' A' ' 82' ' ' ILE . 7.5 mm -84.27 141.92 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -150.21 165.1 33.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.39 157.51 42.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -23.3 63.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.51 -47.41 86.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -117.05 119.01 33.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.08 78.34 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -177.57 169.52 2.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -110.91 134.04 52.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.0 m -98.96 166.6 11.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.061 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -122.55 98.79 6.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HE3' HG22 ' A' ' 41' ' ' VAL . 2.9 mmtt -123.51 175.61 6.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 6.3 ttt180 -135.53 143.41 45.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.4 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 37.8 m-85 -147.81 157.01 43.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.9 t -83.23 147.65 27.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.685 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.5 mtp180 -74.09 -1.88 22.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.4 m -101.35 -3.22 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.573 HD13 ' HD3' ' A' ' 37' ' ' LYS . 7.2 mt -73.29 107.69 5.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.835 HG22 ' CD2' ' A' ' 70' ' ' LEU . 40.8 p -53.93 133.45 43.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 64' ' ' LEU . 43.2 mm -37.98 -42.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -61.16 -52.65 63.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.0 mm-40 -59.5 -52.3 66.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -42.31 -45.29 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.79 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 1.5 mttm -58.15 -40.5 81.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -56.42 -35.09 67.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.276 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.573 ' HD3' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -71.37 -35.78 71.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.781 HD12 HD21 ' A' ' 51' ' ' LEU . 23.5 mt -71.29 -35.48 71.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.815 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 32.3 mt-10 -40.86 -30.08 0.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.145 . . . . 0.0 110.335 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.9 mt -92.82 -42.97 9.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.515 HG11 HG21 ' A' ' 12' ' ' ILE . 98.1 t -51.84 -35.8 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -107.77 -31.01 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.485 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 89.13 1.86 78.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -100.94 173.77 3.42 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.03 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.03 137.4 21.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.45 1.763 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.815 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . . . -75.01 -19.91 59.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.33 0.75 27.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.0 m -120.72 -65.3 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.478 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.1 ptp -46.53 150.45 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 84' ' ' VAL . 3.3 tp10 -112.12 160.53 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.781 HD21 HD12 ' A' ' 38' ' ' LEU . 39.1 mt -115.11 144.39 43.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' CD ' HD11 ' A' ' 85' ' ' ILE . 3.7 mt-10 -138.83 145.13 39.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.594 HD21 ' O ' ' A' ' 75' ' ' PRO . 14.7 tp -114.28 102.79 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.527 ' CE2' ' NH2' ' A' ' 81' ' ' ARG . 9.0 m-85 -93.8 146.92 23.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.78 -132.57 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.18 -72.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 109.306 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 3.9 t70 -52.98 -52.68 57.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 2.3 p30 154.05 60.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -116.42 110.13 18.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -61.43 140.63 58.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -114.75 -76.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.16 172.49 12.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.956 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.07 135.89 44.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.499 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -86.34 68.77 10.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.3 -46.34 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.904 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 22.6 tp60 -41.42 103.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.539 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 1.2 mt-10 -71.0 -42.46 69.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -13.97 31.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.904 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -83.61 158.13 22.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.835 ' CD2' HG22 ' A' ' 30' ' ' THR . 13.4 mt -119.38 148.31 43.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.464 HD11 ' CE2' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -64.32 103.07 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.247 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 147.56 -40.37 0.98 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -19.57 65.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.421 ' CD2' HD12 ' A' ' 64' ' ' LEU . 11.8 m-85 -86.16 169.03 16.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 111.052 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.594 ' O ' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.01 55.39 3.94 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 77' ' ' ASP . 7.5 p -123.36 167.81 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 76' ' ' VAL . 32.2 t0 -174.52 165.21 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.9 OUTLIER -58.25 100.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.78 -21.44 2.69 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.4 m -68.67 -173.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.527 ' NH2' ' CE2' ' A' ' 54' ' ' TYR . 33.2 ttp180 -136.17 142.24 44.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.784 ' HB ' HD13 ' A' ' 12' ' ' ILE . 3.6 mm -115.01 99.89 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 70.7 t60 -84.94 97.57 9.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.563 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.478 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 96.4 t -77.32 109.36 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.478 HD11 ' CD ' ' A' ' 52' ' ' GLU . 53.0 mt -76.01 102.62 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 86' ' ' ASP . 2.6 p-10 -57.53 116.28 3.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -107.11 0.44 23.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.628 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.8 p -84.89 -50.92 7.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -41.92 -82.15 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.33 158.27 37.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.993 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 167.13 118.11 0.42 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.81 19.61 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.03 80.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 t -117.88 113.06 21.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.1 p -170.09 116.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.978 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.82 116.49 28.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.33 99.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.39 132.59 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 110.026 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.65 140.42 9.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.79 -166.22 12.23 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.637 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -138.03 128.11 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' ASP . 2.5 mtt -84.33 110.94 18.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.79 148.35 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -91.88 102.5 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.824 HD13 ' HB ' ' A' ' 82' ' ' ILE . 11.0 mm -84.15 146.49 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.9 p -152.86 -176.45 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -171.28 165.65 7.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 t -78.11 -23.05 48.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.98 -61.98 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -108.11 119.61 39.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.36 71.45 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -169.82 157.63 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -100.03 146.66 26.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -112.01 167.69 10.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.987 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -122.97 98.54 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.258 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -120.6 173.66 7.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 10.3 ttt180 -138.14 143.64 40.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.415 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 14.1 m-85 -149.51 161.55 41.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 111.051 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 t -86.05 145.58 27.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.637 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.7 mtt180 -70.14 -7.15 39.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.47 -19.66 19.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.975 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 29' ' ' LEU . 6.7 mt -57.8 121.32 10.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.746 HG22 HD23 ' A' ' 70' ' ' LEU . 1.4 p -68.57 136.05 52.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.511 HG22 ' CE ' ' A' ' 35' ' ' LYS . 28.0 mm -37.51 -49.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.413 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -51.31 -51.99 49.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 30' ' ' THR . 5.1 mm-40 -65.53 -53.5 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.468 ' CE2' HD11 ' A' ' 71' ' ' LEU . 3.4 t80 -41.43 -46.27 3.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.593 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 24.9 mttt -62.94 -41.11 99.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -50.42 -32.79 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 108.316 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 8.9 mptt -75.1 -37.62 61.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.637 HD22 HG21 ' A' ' 12' ' ' ILE . 19.6 mt -70.88 -29.22 65.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.622 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 47.9 mt-10 -44.75 -31.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.32 -30.49 15.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.113 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' LEU . 84.0 t -61.71 -40.52 87.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.262 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -105.04 -26.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 86.75 7.46 78.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -105.28 168.6 8.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.028 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 136.23 20.18 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.622 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . . . -70.74 -21.86 62.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.1 2.4 20.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 66.7 m -122.21 -65.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.272 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.488 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.3 ptp -44.89 159.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' HB3' HD12 ' A' ' 85' ' ' ILE . 2.5 tp10 -123.24 160.38 26.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.572 HD12 ' HE3' ' A' ' 35' ' ' LYS . 40.7 mt -109.42 161.11 15.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.79 ' CD ' HD11 ' A' ' 85' ' ' ILE . 56.0 mt-10 -157.19 128.42 6.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.494 HD21 ' O ' ' A' ' 75' ' ' PRO . 12.6 tp -100.88 109.25 21.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -93.18 146.59 23.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 111.04 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.71 -140.28 0.66 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -81.04 -73.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 58' ' ' ASP . 24.6 t0 -75.14 57.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.7 OUTLIER 39.49 74.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.91 98.96 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 0.8 OUTLIER -50.74 137.86 19.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -115.73 -80.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.46 164.54 19.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.469 ' N ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -104.81 132.28 51.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD12 ' CE2' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -80.87 72.32 7.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -93.17 -39.84 10.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.547 ' HB3' ' HB2' ' A' ' 69' ' ' ALA . 20.0 tp60 -49.64 116.53 1.81 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 7.5 mt-10 -81.3 -36.19 30.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -3.47 35.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -78.02 173.68 11.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.746 HD23 HG22 ' A' ' 30' ' ' THR . 1.6 mt -141.19 141.05 34.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.468 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.8 mt -57.2 102.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 150.54 -46.64 0.62 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.97 -18.87 15.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 0.74 . . . . 0.0 109.984 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CE2' HD12 ' A' ' 64' ' ' LEU . 47.9 m-85 -95.53 166.24 15.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.494 ' O ' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.01 54.7 3.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.467 1.772 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.3 p -118.5 156.87 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -159.83 164.56 33.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.8 OUTLIER -60.99 92.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 149.85 -28.3 1.15 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.74 -170.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.1 ttm105 -134.2 140.91 46.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.824 ' HB ' HD13 ' A' ' 12' ' ' ILE . 3.8 mm -118.61 100.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -82.92 120.97 26.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.65 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.488 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 23.3 t -97.99 116.49 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.79 HD11 ' CD ' ' A' ' 52' ' ' GLU . 23.0 mt -87.79 103.34 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.85 98.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -96.02 16.91 16.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 109.648 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.28 80.01 1.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.26 96.26 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.551 1.157 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.3 t -168.88 -55.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.043 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.48 94.56 2.28 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.23 12.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.458 1.768 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -136.46 143.69 43.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.89 160.39 14.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.08 120.46 22.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 109.967 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 m -70.27 -54.83 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.03 -78.24 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.04 -60.03 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 0.758 . . . . 0.0 110.042 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -152.19 128.97 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.45 160.18 28.27 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.112 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.432 HG21 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -132.66 129.01 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 109.34 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.48 107.67 20.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.453 HG12 ' SG ' ' A' ' 80' ' ' CYS . 28.7 m -111.08 151.37 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -93.78 102.38 14.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.959 HD13 ' HB ' ' A' ' 82' ' ' ILE . 5.7 mm -84.2 128.37 38.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.14 164.53 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.423 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 82.8 p -155.01 148.16 24.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.409 ' CB ' ' OD1' ' A' ' 86' ' ' ASP . 0.2 OUTLIER -63.03 -17.41 62.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.043 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.654 HD11 ' HB3' ' A' ' 86' ' ' ASP . 2.1 mt -70.82 -45.49 64.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -108.41 118.84 37.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.65 70.24 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.6 t80 178.99 -177.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -119.55 133.0 55.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.9 m -93.28 163.12 13.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -122.92 98.98 6.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.617 ' NZ ' HG22 ' A' ' 41' ' ' VAL . 5.3 mmtt -126.45 178.72 5.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -134.94 146.3 49.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -151.6 141.29 21.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 24.3 t -72.26 128.66 36.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.98 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' CG ' HG21 ' A' ' 8' ' ' VAL . 11.4 mtm180 -50.93 -20.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.308 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.8 p -69.86 -36.82 75.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.167 . . . . 0.0 110.028 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 29' ' ' LEU . 10.1 mt -43.58 118.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.907 HG22 HD23 ' A' ' 70' ' ' LEU . 1.3 p -73.26 137.71 45.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.432 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.485 ' C ' ' O ' ' A' ' 30' ' ' THR . 15.2 mm -32.84 -48.44 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.451 ' HB2' ' HG2' ' A' ' 67' ' ' GLU . . . -54.1 -61.45 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.162 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.7 mm-40 -56.08 -52.82 62.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.699 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -39.3 -44.25 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.812 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -62.61 -48.8 77.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.5 OUTLIER -46.6 -33.04 3.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 108.285 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' O ' HG23 ' A' ' 41' ' ' VAL . 16.7 mmtt -72.39 -47.28 50.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.699 HD21 ' CE1' ' A' ' 34' ' ' PHE . 7.0 mt -58.57 -34.53 71.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.684 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 44.4 mt-10 -46.19 -30.36 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.65 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -93.82 -27.82 16.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.617 HG22 ' NZ ' ' A' ' 23' ' ' LYS . 43.4 t -70.18 -44.1 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -96.98 -32.57 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 91.82 1.85 70.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.038 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.426 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.2 OUTLIER -102.13 173.96 3.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.026 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.05 138.69 23.25 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.812 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -75.29 -19.31 59.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.4 5.23 18.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 77.6 m -126.23 -63.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 108.321 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.478 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.4 ptp -45.58 148.9 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -110.64 153.62 24.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.641 HD11 ' CG ' ' A' ' 35' ' ' LYS . 16.5 mt -110.59 144.84 38.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 3.4 mt-10 -140.57 137.92 34.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.462 HD21 ' C ' ' A' ' 75' ' ' PRO . 12.9 tp -112.26 107.75 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 55' ' ' GLY . 55.8 m-85 -102.07 148.54 25.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 54' ' ' TYR . . . -58.2 -118.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -107.5 -69.91 0.82 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -61.7 -47.57 84.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.6 OUTLIER 159.32 46.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -95.97 96.86 9.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -60.03 130.96 49.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.402 ' CE2' ' HA2' ' A' ' 55' ' ' GLY . 9.5 m-85 -106.35 -79.02 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -138.3 169.77 17.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -103.7 132.14 50.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.458 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.5 81.05 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -105.66 -53.51 2.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 28.7 tp60 -42.95 115.02 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' HG2' ' HB2' ' A' ' 32' ' ' ALA . 2.9 mt-10 -76.38 -41.14 48.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.47 -14.32 62.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -75.65 143.61 42.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.907 HD23 HG22 ' A' ' 30' ' ' THR . 63.4 mt -104.23 132.72 50.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -52.71 101.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.28 -54.57 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.84 -27.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.418 ' CD2' HD12 ' A' ' 64' ' ' LEU . 30.9 m-85 -79.16 168.44 26.84 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.462 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 55.56 3.98 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.456 1.766 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.453 HG22 ' H ' ' A' ' 77' ' ' ASP . 9.8 p -104.99 168.58 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.453 ' H ' HG22 ' A' ' 76' ' ' VAL . 12.1 m-20 -169.02 153.82 5.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.02 98.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 133.63 -7.04 4.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.453 ' SG ' HG12 ' A' ' 10' ' ' VAL . 11.9 p -57.5 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -146.63 111.35 5.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.959 ' HB ' HD13 ' A' ' 12' ' ' ILE . 5.4 mm -95.62 100.45 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -87.05 109.62 19.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.566 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.478 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 25.5 t -89.87 107.26 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.7 mt -79.55 102.79 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.654 ' HB3' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -54.21 98.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.75 16.21 11.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 t -112.18 -41.19 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -57.88 -90.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.2 m -116.55 111.0 19.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.774 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.47 -178.6 41.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 178.97 6.56 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.87 138.83 50.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.1 99.46 3.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -158.36 168.02 28.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.725 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -120.63 126.98 51.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.972 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.56 78.78 0.37 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.152 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -136.7 162.94 31.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 m -60.29 -56.7 18.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.66 163.12 11.85 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.602 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -129.5 129.21 66.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.561 0.8 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 mtp -85.15 117.25 23.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 m -124.95 150.59 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -92.05 103.28 15.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.857 HD13 ' HB ' ' A' ' 82' ' ' ILE . 6.0 mm -84.4 135.34 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.11 -178.01 4.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.442 ' OG ' ' ND2' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -170.79 161.61 7.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.024 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.68 -15.5 51.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.589 HD11 ' OD1' ' A' ' 86' ' ' ASP . 1.2 mt -69.2 -63.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.442 ' ND2' ' OG ' ' A' ' 14' ' ' SER . 2.6 p30 -74.09 -36.52 64.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.97 32.7 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.01 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -143.78 172.96 12.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -102.69 129.17 49.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.6 m -104.26 171.74 7.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -122.44 98.67 6.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 4.5 mmtt -122.84 174.7 6.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.526 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 14.4 ttt-85 -138.11 146.75 43.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.526 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 28.4 m-85 -152.17 149.99 29.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.2 t -77.21 149.17 35.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.963 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.602 ' HG2' HG21 ' A' ' 8' ' ' VAL . 8.3 mtt180 -73.7 -1.81 20.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.358 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.93 -0.3 29.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.49 ' HA ' HD23 ' A' ' 29' ' ' LEU . 7.3 mt -76.28 112.5 12.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.653 HG22 ' CD2' ' A' ' 70' ' ' LEU . 33.5 p -57.8 133.31 55.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.807 HG22 ' HE3' ' A' ' 35' ' ' LYS . 42.6 mm -38.36 -42.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -60.8 -51.75 68.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.4 mm-40 -62.68 -47.71 82.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.762 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.5 t80 -45.46 -47.06 13.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.827 ' CG ' HD11 ' A' ' 51' ' ' LEU . 22.4 mttt -60.11 -43.57 95.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.85 -36.55 7.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 108.351 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 13.3 mptt -72.99 -38.84 66.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.762 HD21 ' CE1' ' A' ' 34' ' ' PHE . 20.0 mt -66.34 -28.42 68.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.746 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 42.0 mt-10 -50.17 -30.85 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.2 mt -92.59 -23.54 19.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.17 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.64 -42.78 80.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -105.55 -10.74 9.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.429 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 69.07 12.8 65.95 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.563 1.164 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.447 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -109.23 172.54 3.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.753 . . . . 0.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.86 20.86 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.485 1.782 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.777 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -77.21 -19.77 56.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.75 3.01 20.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.007 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.9 m -123.61 -64.98 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.559 ' HE3' ' HA ' ' A' ' 46' ' ' ALA . 6.9 ptp -45.17 160.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.679 ' O ' HD23 ' A' ' 51' ' ' LEU . 3.2 tp10 -120.05 167.04 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.827 HD11 ' CG ' ' A' ' 35' ' ' LYS . 12.2 mt -119.77 162.7 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 40.5 mt-10 -155.0 135.29 13.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.571 ' HB2' HD21 ' A' ' 64' ' ' LEU . 24.9 tp -109.5 103.26 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.519 ' CD2' ' OD1' ' A' ' 58' ' ' ASP . 62.5 m-85 -99.8 143.12 30.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.99 -130.36 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.27 -71.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ASP . 5.3 t70 -74.01 57.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.519 ' OD1' ' CD2' ' A' ' 54' ' ' TYR . 26.8 t0 38.41 58.54 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.92 111.99 23.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -61.57 133.54 55.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -110.27 -67.5 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.08 169.96 18.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.038 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.53 130.06 50.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -82.03 69.27 8.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -95.49 -42.96 8.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.934 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 2.7 tp-100 -47.14 109.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.51 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -76.88 -31.89 57.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.36 0.4 25.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.934 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -87.23 174.07 8.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.653 ' CD2' HG22 ' A' ' 30' ' ' THR . 1.2 mt -140.29 147.91 40.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 71' ' ' LEU . 1.2 mt -59.75 117.95 5.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.406 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 132.03 -56.29 0.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.02 -25.92 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 110.023 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CE2' HD12 ' A' ' 64' ' ' LEU . 30.1 m-85 -86.75 168.8 16.84 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.98 55.51 3.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.664 HG22 ' H ' ' A' ' 77' ' ' ASP . 5.7 p -103.17 176.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.664 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.5 p30 -175.49 141.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -49.96 96.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 140.3 -14.87 2.99 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -169.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -137.58 124.51 21.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.857 ' HB ' HD13 ' A' ' 12' ' ' ILE . 8.9 mm -106.5 100.06 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -88.91 124.19 33.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.562 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.457 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 64.7 t -98.35 126.6 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 80.6 mt -95.76 102.69 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.589 ' OD1' HD11 ' A' ' 16' ' ' LEU . 22.8 t70 -57.64 103.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -98.37 9.82 42.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.566 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.8 m -132.23 73.64 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -86.45 94.62 1.97 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.33 135.65 17.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.92 174.49 40.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 81.45 2.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 m -121.58 86.07 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.8 t -42.25 138.17 1.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.449 1.093 . . . . 0.0 111.055 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.24 -57.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.756 . . . . 0.0 110.009 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m 55.86 84.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.28 -89.93 0.31 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -163.55 139.34 6.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -47.67 133.46 13.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.956 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.04 177.62 36.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.655 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -129.04 128.24 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.48 110.41 12.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 m -122.55 146.46 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -92.15 104.04 16.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.748 HD13 ' HB ' ' A' ' 82' ' ' ILE . 14.4 mm -84.33 134.98 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 p -135.43 154.18 51.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.942 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.44 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 27.8 p -145.34 142.74 29.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -8.46 53.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.009 HD11 ' OD1' ' A' ' 86' ' ' ASP . 3.9 mt -78.43 -46.84 18.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -90.2 -26.84 19.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t 60.29 50.72 5.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -163.19 163.73 25.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.557 1.161 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -94.89 124.11 38.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -98.74 168.49 10.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -122.5 99.28 6.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -126.06 175.37 7.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 2.6 ttt-85 -138.6 147.46 42.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 52.4 m-85 -152.81 154.53 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.9 t -78.23 148.04 34.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.655 ' HG2' HG21 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -74.25 -1.86 22.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.81 -0.49 34.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 29' ' ' LEU . 6.9 mt -75.5 111.91 11.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.71 HG22 ' CD2' ' A' ' 70' ' ' LEU . 74.3 p -56.91 133.85 54.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.479 HD12 ' HG ' ' A' ' 64' ' ' LEU . 47.5 mm -37.39 -43.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.06 -53.81 52.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.3 mm-40 -61.1 -45.74 93.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -46.95 -47.08 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.746 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 4.3 mttm -62.92 -45.88 90.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.402 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -44.43 -33.44 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 108.318 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -74.94 -45.4 42.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 42' ' ' VAL . 22.5 mt -61.05 -32.24 71.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.693 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 64.5 mt-10 -44.8 -34.74 2.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.227 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.722 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -86.29 -41.62 14.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.9 t -49.49 -42.29 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -103.2 -29.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 87.57 20.88 49.99 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -119.66 173.6 3.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 110.009 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.0 139.16 23.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.746 ' HB1' ' CB ' ' A' ' 35' ' ' LYS . . . -79.05 -20.56 48.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.51 4.42 18.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 90.8 m -121.63 -57.88 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 108.317 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.432 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 5.5 ptp -57.85 148.63 24.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.47 ' HB3' HD12 ' A' ' 85' ' ' ILE . 3.1 tp10 -108.17 157.64 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.47 ' CD2' HG22 ' A' ' 84' ' ' VAL . 13.9 mt -114.94 163.37 15.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.489 ' OE2' ' CE1' ' A' ' 60' ' ' PHE . 21.3 mt-10 -158.56 140.79 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.09 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.728 HD11 HG23 ' A' ' 76' ' ' VAL . 53.1 tp -105.88 131.82 52.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 26.5 m-85 -121.74 151.04 40.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.72 -125.35 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.5 -70.41 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 58' ' ' ASP . 19.5 t0 -73.47 58.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' ASP . 77.9 m-20 39.4 68.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 54' ' ' TYR . 17.5 tttp -120.78 110.47 16.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.489 ' CE1' ' OE2' ' A' ' 52' ' ' GLU . 59.6 t80 -56.04 137.19 51.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -115.28 -74.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.59 169.32 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -105.82 125.05 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.479 ' HG ' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -72.93 63.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -79.89 -46.14 17.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.457 ' O ' HG21 ' A' ' 31' ' ' ILE . 33.5 tp60 -45.97 145.1 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -111.88 -30.45 7.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.3 1.73 43.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.81 177.38 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.71 ' CD2' HG22 ' A' ' 30' ' ' THR . 2.2 mt -139.95 152.26 46.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 71' ' ' LEU . 1.1 mt -66.15 111.82 3.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.404 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 140.88 -56.28 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.43 -26.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.008 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.463 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 71.7 m-85 -86.74 167.92 20.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.682 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.0 56.98 4.42 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.728 HG23 HD11 ' A' ' 53' ' ' LEU . 4.9 p -103.48 179.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.684 ' H ' HG22 ' A' ' 76' ' ' VAL . 16.4 t0 -175.02 162.14 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -68.95 90.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.77 -15.46 2.2 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.19 -170.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -136.7 138.15 40.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.118 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.748 ' HB ' HD13 ' A' ' 12' ' ' ILE . 6.4 mm -118.27 99.85 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -82.43 131.84 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.589 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.47 HG22 ' CD2' ' A' ' 51' ' ' LEU . 69.6 t -109.95 119.33 58.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.47 HD12 ' HB3' ' A' ' 50' ' ' GLU . 47.5 mt -87.53 102.64 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 1.009 ' OD1' HD11 ' A' ' 16' ' ' LEU . 29.5 t70 -54.44 104.52 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -101.09 2.97 40.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.619 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.4 77.81 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -111.73 92.0 0.63 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 99.7 p -138.7 155.34 48.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.005 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -108.13 -84.63 1.66 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 95.93 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.68 143.86 47.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.014 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m 51.15 -176.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.956 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -104.64 89.61 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -77.58 142.55 38.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.57 -88.33 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.147 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -93.01 86.73 5.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.9 OUTLIER -138.83 -66.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.98 168.15 14.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.632 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -130.43 123.76 56.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.796 . . . . 0.0 109.282 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' ASP . 11.5 mtm -75.08 109.45 8.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.53 147.23 22.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -92.45 103.05 15.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.798 HD13 ' HB ' ' A' ' 82' ' ' ILE . 8.5 mm -84.25 151.63 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.1 p -155.56 166.3 33.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.3 p -154.78 154.48 32.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.21 -26.62 66.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -57.76 11.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -96.94 120.7 37.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.16 60.93 2.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -166.57 176.72 7.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.042 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.47 143.79 43.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -110.69 165.81 11.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -123.07 98.77 6.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -121.78 174.88 6.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 25' ' ' TYR . 4.6 ttt180 -135.92 143.65 45.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.26 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.41 ' N ' ' HG2' ' A' ' 24' ' ' ARG . 57.8 m-85 -150.46 134.91 17.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 16.4 t -66.36 133.89 51.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.632 ' HG2' HG21 ' A' ' 8' ' ' VAL . 5.6 mtt180 -53.02 -18.94 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.6 m -71.54 -37.68 71.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 29' ' ' LEU . 8.8 mt -43.28 111.53 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.905 HG22 ' CD2' ' A' ' 70' ' ' LEU . 59.8 p -65.11 137.55 57.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' A' ' 30' ' ' THR . 40.8 mm -34.23 -43.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.676 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -62.58 -58.54 7.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' THR . 5.5 mm-40 -56.51 -43.32 79.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.659 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -48.19 -48.36 34.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.825 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -59.96 -47.92 83.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.083 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 39' ' ' GLU . 1.8 t -46.32 -35.35 5.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.331 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -72.84 -48.15 40.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 34' ' ' PHE . 42.3 mt -58.95 -36.78 75.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.746 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 27.7 mt-10 -39.38 -39.14 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.586 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -81.24 -42.11 21.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' LEU . 97.2 t -50.08 -54.71 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.42 -18.91 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 75.87 10.83 84.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -107.54 173.87 2.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.966 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.416 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.06 142.12 27.28 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.788 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.825 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -82.77 -15.26 52.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.89 3.9 27.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 39.3 m -124.48 -62.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.312 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.472 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 5.9 ptp -49.99 152.34 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' O ' HD23 ' A' ' 51' ' ' LEU . 1.8 tp10 -113.94 166.09 11.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.573 HD21 HD12 ' A' ' 38' ' ' LEU . 36.8 mt -118.27 145.25 45.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -139.41 143.11 37.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.488 HD13 ' CG2' ' A' ' 76' ' ' VAL . 14.0 tp -114.44 103.22 10.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -93.78 149.55 21.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.424 ' HA3' ' CG ' ' A' ' 59' ' ' LYS . . . -79.97 -137.13 1.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.52 -73.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' ASP . 4.3 m-20 -73.77 57.36 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' ASP . 17.2 t70 37.67 72.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.424 ' CG ' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -123.81 105.33 9.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -58.78 135.63 57.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -109.27 -79.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.34 167.23 18.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.04 136.6 38.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.458 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -88.86 70.53 8.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -95.64 -50.3 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.923 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 27.7 tp60 -40.25 103.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.676 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 1.7 mt-10 -73.01 -41.17 64.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.93 -12.48 37.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.923 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -82.65 156.28 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.905 ' CD2' HG22 ' A' ' 30' ' ' THR . 15.6 mt -113.01 143.47 44.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -61.69 101.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.15 -47.93 0.54 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.87 -27.12 4.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 0.791 . . . . 0.0 110.036 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -80.88 166.86 36.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.98 4.1 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.488 ' CG2' HD13 ' A' ' 53' ' ' LEU . 9.9 p -125.44 166.8 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -174.36 170.44 3.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' 9' ' ' MET . 5.7 p-10 -60.03 101.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.88 -24.88 2.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.1 m -67.92 -172.83 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 81' ' ' ARG . 22.7 ttm105 -134.13 144.07 48.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.798 ' HB ' HD13 ' A' ' 12' ' ' ILE . 9.2 mm -120.47 104.29 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -88.69 107.57 19.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.629 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.472 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 95.7 t -85.49 119.34 33.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 57.2 mt -87.79 102.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.19 101.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -97.04 17.56 16.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.54 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.5 p -119.4 94.73 4.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -136.94 115.05 1.2 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.77 143.29 51.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 147.21 -144.36 12.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 142.23 27.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.432 1.754 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.2 t -140.25 114.45 9.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.19 112.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.23 91.22 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.023 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 p -140.63 157.47 45.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.98 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.65 121.85 0.59 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -111.62 116.19 30.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 m 55.92 168.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.948 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.51 169.34 36.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.45 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -133.72 122.7 43.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.344 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.0 mtt -75.98 115.24 15.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.2 m -115.32 149.55 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -92.33 104.54 16.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.461 HD13 ' HB ' ' A' ' 82' ' ' ILE . 5.8 mm -83.98 147.28 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.35 127.76 6.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.5 p -127.25 148.28 50.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.14 -24.68 67.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.117 . . . . 0.0 110.051 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mt -64.82 -49.83 69.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -93.43 132.63 37.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -87.41 52.18 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.977 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -170.87 178.47 3.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.51 149.47 23.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.76 127.16 54.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -98.84 97.99 9.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 28.0 mmtt -112.23 -179.46 3.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.443 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 3.9 ttt180 -138.6 140.86 39.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 12.2 m-85 -153.04 161.57 42.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 t -91.56 148.46 22.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' HG2' HG21 ' A' ' 8' ' ' VAL . 8.2 mtm180 -71.63 -4.77 29.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.3 m -94.97 -13.71 25.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.474 ' HA ' HD23 ' A' ' 29' ' ' LEU . 8.0 mt -64.59 121.17 13.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.659 HG22 ' CD2' ' A' ' 70' ' ' LEU . 30.2 p -66.97 135.64 54.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.627 HG22 ' HE3' ' A' ' 35' ' ' LYS . 46.8 mm -36.46 -39.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.604 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -62.69 -56.35 18.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 30' ' ' THR . 7.6 mm-40 -59.46 -48.63 80.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -42.25 -50.79 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.719 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 11.9 mttm -60.56 -46.94 88.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' HA ' ' OE1' ' A' ' 39' ' ' GLU . 0.5 OUTLIER -44.1 -33.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 108.31 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -73.24 -46.74 48.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.509 ' O ' HG22 ' A' ' 42' ' ' VAL . 20.2 mt -59.02 -32.05 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.603 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 59.2 mt-10 -48.7 -28.15 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.675 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -93.41 -25.38 17.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 38' ' ' LEU . 24.3 t -73.38 -58.8 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.0 m -81.06 -32.28 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 90.95 2.6 71.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -101.91 172.24 4.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.003 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.61 21.95 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.719 ' HB1' ' CB ' ' A' ' 35' ' ' LYS . . . -73.39 -20.43 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.34 4.41 17.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 79.4 m -125.84 -62.35 1.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 108.33 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.485 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 5.6 ptp -50.06 143.37 8.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.699 ' C ' HD23 ' A' ' 51' ' ' LEU . 2.8 tp10 -110.96 154.56 23.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.699 HD23 ' C ' ' A' ' 50' ' ' GLU . 8.5 mt -116.23 155.47 28.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 17.5 mt-10 -147.38 146.0 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.022 HD13 HG23 ' A' ' 76' ' ' VAL . 12.6 tp -106.5 102.43 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 52.3 m-85 -98.83 150.85 21.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.102 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . -59.67 -119.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.11 -69.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 1.4 m-20 -60.76 -48.07 83.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 1.5 m-20 156.66 70.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.2 mttt -124.75 101.11 6.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 63' ' ' LYS . 18.9 t80 -58.6 141.84 51.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' LEU . 3.9 m-30 -115.5 -82.58 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.1 m -122.96 164.04 19.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' HG2' ' CZ ' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -100.91 134.67 43.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.5 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -85.83 50.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.259 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -42.67 68.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.571 ' HB3' ' HB2' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -56.7 118.8 5.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.604 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 3.3 pt-20 -86.59 -36.61 18.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.433 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 50.7 t0 -69.28 -8.25 44.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.571 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -76.27 173.9 10.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.659 ' CD2' HG22 ' A' ' 30' ' ' THR . 5.0 mt -134.47 153.11 52.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.439 ' CD2' HG11 ' A' ' 76' ' ' VAL . 1.5 mt -68.38 101.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.85 -48.65 0.53 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.97 -23.94 14.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -89.45 166.16 22.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.781 ' O ' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 54.34 3.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.516 1.798 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.022 HG23 HD13 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -118.57 174.22 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.44 ' H ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER 178.95 167.74 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' HB3' HG12 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -59.83 100.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.27 -17.24 3.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 6.8 m -65.81 -173.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -133.95 134.34 42.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.461 ' HB ' HD13 ' A' ' 12' ' ' ILE . 30.5 mm -115.82 102.54 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -82.66 112.14 19.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.597 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.485 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 38.6 t -87.79 94.88 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.6 mt -68.75 102.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.38 100.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -96.98 12.01 33.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.619 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.5 t -96.87 -62.35 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.972 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 104.04 -127.2 9.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.084 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.1 t -84.41 -61.33 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.004 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -169.72 162.16 35.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.63 10.1 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.95 167.99 11.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.975 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 t 72.95 -64.92 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.166 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -159.76 164.08 34.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.7 168.19 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.45 80.41 0.66 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.552 1.157 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.65 127.6 32.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.975 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -178.83 99.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.026 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.78 -150.34 13.14 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.563 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -145.44 127.06 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -73.27 101.52 3.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 111.01 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.6 m -117.21 143.6 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -92.54 104.56 16.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.91 HD13 ' HB ' ' A' ' 82' ' ' ILE . 8.2 mm -84.34 148.01 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 p -153.74 167.06 30.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.449 ' CB ' HG12 ' A' ' 42' ' ' VAL . 23.3 p -161.93 159.04 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.8 t -72.7 -17.96 61.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.689 HD11 ' OD1' ' A' ' 86' ' ' ASP . 1.4 mt -71.96 -54.09 11.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -84.12 -29.25 26.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER 76.1 -60.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.6 169.44 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.05 146.77 24.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.2 m -113.96 167.89 10.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -122.87 100.1 6.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -128.4 173.3 10.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.519 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -133.6 152.89 51.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.331 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 26.1 m-85 -155.52 151.39 27.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' LEU . 22.9 t -82.29 122.89 28.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.563 ' HG2' HG21 ' A' ' 8' ' ' VAL . 7.2 mtt180 -43.83 -25.99 0.23 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 26' ' ' SER . 15.6 m -64.36 -40.59 96.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' SER . 9.6 mt -40.02 121.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.611 HG22 ' CD2' ' A' ' 70' ' ' LEU . 66.6 p -73.5 138.78 45.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' THR . 31.5 mm -35.62 -44.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -60.51 -56.51 20.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.088 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.455 ' N ' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -59.98 -48.04 83.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CE2' HD11 ' A' ' 71' ' ' LEU . 1.4 t80 -43.06 -48.39 6.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -61.93 -48.5 80.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' LYS . 1.3 t -40.97 -35.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 108.307 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -73.61 -51.2 17.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.932 ' CD1' HD21 ' A' ' 51' ' ' LEU . 34.3 mt -51.14 -32.15 22.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.499 ' OE2' ' CB ' ' A' ' 46' ' ' ALA . 80.5 mt-10 -48.39 -27.58 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.702 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -92.52 -26.94 17.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' LEU . 55.5 t -70.12 -45.56 75.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -95.01 -32.89 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 90.36 22.14 35.67 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -125.32 171.36 7.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 0.785 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.35 22.96 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.499 ' CB ' ' OE2' ' A' ' 39' ' ' GLU . . . -63.12 -19.13 64.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -5.56 58.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' HIS . 76.4 m -127.66 30.65 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.422 ' HE2' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -148.51 137.25 21.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 111.03 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -105.68 173.02 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.932 HD21 ' CD1' ' A' ' 38' ' ' LEU . 92.9 mt -124.43 165.84 17.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 21.7 mt-10 -158.38 137.53 11.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.566 HD13 ' CG2' ' A' ' 76' ' ' VAL . 15.7 tp -111.02 103.46 11.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.455 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 64.1 m-85 -100.32 137.42 38.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.05 -140.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.8 -73.63 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 58' ' ' ASP . 6.6 t0 -74.48 58.0 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' OD1' ' CD2' ' A' ' 54' ' ' TYR . 21.9 t0 39.41 76.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -128.61 98.51 5.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -50.07 138.21 16.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -116.3 -72.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 m -135.19 173.7 11.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -107.97 127.97 54.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.503 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -84.36 68.76 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.66 -46.5 4.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.455 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 11.0 tp60 -43.81 108.97 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.538 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.4 OUTLIER -73.87 -35.67 64.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.06 -11.85 60.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -80.6 150.77 29.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.611 ' CD2' HG22 ' A' ' 30' ' ' THR . 55.6 mt -109.48 132.63 53.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.433 HD11 ' CE2' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -53.22 101.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 153.86 -51.53 0.47 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 p -45.73 -28.18 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.018 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.49 ' CD2' HD12 ' A' ' 64' ' ' LEU . 49.0 m-85 -79.13 165.53 48.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.413 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.95 56.03 4.1 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.566 ' CG2' HD13 ' A' ' 53' ' ' LEU . 7.4 p -121.11 163.83 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.64 169.11 6.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 9' ' ' MET . 5.5 p-10 -56.59 104.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 134.16 -20.28 4.02 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.432 ' CB ' HG23 ' A' ' 76' ' ' VAL . 1.3 m -64.74 -171.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -135.64 138.85 43.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.91 ' HB ' HD13 ' A' ' 12' ' ' ILE . 21.7 mm -119.61 99.75 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -86.38 120.14 27.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.609 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.486 HG22 HD13 ' A' ' 38' ' ' LEU . 98.8 t -95.43 108.18 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 50.1 mt -79.55 102.6 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.689 ' OD1' HD11 ' A' ' 16' ' ' LEU . 31.3 t70 -54.58 104.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.2 m-70 -102.04 28.51 5.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.615 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.5 p -117.67 71.78 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -74.57 -95.46 0.12 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.74 129.4 4.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 170.79 157.57 13.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.53 14.36 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.5 t -132.03 -58.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.3 m 63.55 154.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -169.63 131.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 0.774 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.64 -61.09 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.58 -64.29 0.64 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.57 139.72 19.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.748 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -158.29 100.11 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.88 165.4 24.35 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.627 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -128.78 128.04 67.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.0 mtm -79.63 120.2 23.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.8 m -128.82 150.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -91.92 103.79 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.808 HD13 ' HB ' ' A' ' 82' ' ' ILE . 6.3 mm -83.88 135.45 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.84 170.51 13.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.033 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 p -167.72 129.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.039 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.93 -22.95 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 86' ' ' ASP . 1.1 mt -67.24 -58.69 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -72.11 154.57 41.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.54 -55.85 4.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.044 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -96.56 -176.66 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -95.79 164.76 12.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 m -116.33 166.6 11.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -123.15 98.59 5.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -120.42 175.13 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -138.45 144.63 40.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -147.06 157.46 43.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -82.74 147.21 28.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.627 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.7 mtt180 -72.28 -3.67 25.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.92 -9.99 23.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.0 mt -67.65 111.13 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.866 HG22 ' CD2' ' A' ' 70' ' ' LEU . 72.8 p -59.18 133.72 56.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.152 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' THR . 39.2 mm -36.2 -46.1 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -55.95 -54.65 42.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.2 mm-40 -59.03 -53.24 60.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.79 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.5 t80 -41.64 -47.92 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.845 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -58.56 -40.31 82.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -53.65 -33.95 56.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 108.288 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 8.5 mptt -74.54 -38.23 62.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.79 HD21 ' CE1' ' A' ' 34' ' ' PHE . 15.4 mt -68.77 -32.0 71.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.805 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 29.4 mt-10 -41.66 -35.22 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.1 mt -88.89 -44.61 10.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.1 t -46.07 -38.24 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -111.13 -15.39 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 70.05 20.66 76.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.962 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -115.73 173.95 2.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 0.0 109.986 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.2 Cg_endo -75.06 130.87 13.61 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.797 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.845 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -75.77 -14.52 60.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.67 2.86 35.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 m -124.31 -63.11 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.473 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 6.4 ptp -46.6 149.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -109.87 162.74 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.776 HD21 HD12 ' A' ' 38' ' ' LEU . 35.5 mt -116.85 146.91 42.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -138.95 130.65 27.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.719 ' HB2' HD21 ' A' ' 64' ' ' LEU . 15.8 tp -106.12 102.14 11.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -97.3 146.93 24.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.14 -131.88 0.09 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.76 -71.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ASP . 10.5 t0 -73.35 58.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER 38.06 61.09 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.03 110.58 19.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.7 t80 -58.84 133.51 56.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -112.26 -72.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.09 169.97 16.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' C ' HD13 ' A' ' 64' ' ' LEU . 3.1 mmtp -105.3 135.9 45.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.719 HD21 ' HB2' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -90.81 64.4 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.36 -43.83 7.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.84 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 6.2 tp60 -46.97 113.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.559 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -77.39 -36.47 53.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.53 -8.31 53.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.84 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -80.19 172.05 14.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.866 ' CD2' HG22 ' A' ' 30' ' ' THR . 3.3 mt -141.04 149.03 41.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 71' ' ' LEU . 1.4 mt -59.55 113.8 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.412 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 136.76 -56.25 0.69 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.8 -26.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.448 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 39.7 m-85 -88.4 168.5 16.05 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.03 55.4 3.95 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.653 HG22 ' H ' ' A' ' 77' ' ' ASP . 5.9 p -103.15 176.42 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.653 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.3 p30 -178.57 144.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -51.05 97.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.72 -13.73 3.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -60.9 -169.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -137.07 133.05 34.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.228 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.808 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.6 mm -113.54 102.2 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -90.25 111.0 22.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.473 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 63.8 t -88.35 120.35 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 72.7 mt -91.88 102.77 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.475 ' HB2' HD11 ' A' ' 16' ' ' LEU . 1.2 t70 -58.98 106.63 0.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -98.96 6.83 46.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.607 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 82.8 p -112.94 76.74 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.47 82.42 0.3 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.74 146.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -48.94 166.58 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.94 19.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.1 t -135.71 170.29 16.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.0 p -143.12 -85.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.4 p -53.2 138.74 31.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -42.45 -60.77 1.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.74 -71.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -121.68 153.99 37.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 p -105.19 173.21 6.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.019 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.29 162.9 13.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.74 134.0 28.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.2 mtp -91.34 111.47 22.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.4 m -118.73 147.78 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -92.11 102.53 15.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.16 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.776 HD13 ' HB ' ' A' ' 82' ' ' ILE . 9.1 mm -84.33 149.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.6 t -149.09 -176.34 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.463 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 57.2 p -173.24 160.07 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.77 -10.98 59.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 86' ' ' ASP . 1.5 mt -79.16 -56.31 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.41 ' O ' ' CB ' ' A' ' 18' ' ' SER . 1.5 m-80 -83.91 -31.24 25.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 17' ' ' ASN . 0.4 OUTLIER 78.58 -60.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.998 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -60.59 157.01 15.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -85.95 148.26 25.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 m -114.85 172.11 7.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.036 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.46 98.97 6.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' HE3' HG22 ' A' ' 41' ' ' VAL . 4.3 mmtt -123.09 172.81 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -138.86 145.06 39.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.528 ' OH ' HG21 ' A' ' 41' ' ' VAL . 42.6 m-85 -153.24 143.74 22.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.062 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.8 t -66.98 146.95 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 71' ' ' LEU . 5.5 mtt180 -73.79 -2.56 24.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.9 m -100.62 -1.33 35.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.494 ' HA ' HD23 ' A' ' 29' ' ' LEU . 6.8 mt -75.26 112.67 11.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.806 HG22 ' CD2' ' A' ' 70' ' ' LEU . 81.5 p -56.39 132.61 51.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.374 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.601 HD12 ' HB3' ' A' ' 64' ' ' LEU . 37.6 mm -36.89 -43.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.637 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -60.63 -54.11 49.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.6 mm-40 -60.83 -43.67 97.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.69 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.8 t80 -49.39 -46.93 48.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.589 ' NZ ' HG22 ' A' ' 31' ' ' ILE . 20.8 mttt -63.63 -44.44 93.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.98 -27.58 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -80.36 -49.07 12.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.69 HD21 ' CE1' ' A' ' 34' ' ' PHE . 14.3 mt -56.74 -27.57 59.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.47 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 28.4 mt-10 -42.27 -32.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -92.22 -35.3 13.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.528 HG21 ' OH ' ' A' ' 25' ' ' TYR . 89.0 t -56.78 -36.36 49.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 14' ' ' SER . 0.2 OUTLIER -112.51 -12.88 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 68.64 16.17 69.52 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.949 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -109.48 162.04 21.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 130.94 13.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . . . -63.62 -12.99 37.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.71 1.56 51.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' HIS . 82.2 m -145.24 37.62 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 108.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.453 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -147.25 134.25 20.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.994 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -106.7 156.07 19.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.486 HD11 ' HG2' ' A' ' 35' ' ' LYS . 14.9 mt -110.29 153.4 24.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 8.6 mt-10 -141.39 135.45 30.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.514 ' CD1' HG23 ' A' ' 76' ' ' VAL . 61.7 tp -106.79 136.36 46.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 83' ' ' HIS . 22.6 m-85 -125.19 153.9 42.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.511 ' HA3' ' CE1' ' A' ' 61' ' ' TYR . . . -73.15 -119.77 0.07 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.434 1.084 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.31 -69.49 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' ASP . 8.3 t70 -73.68 57.98 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASP . 25.9 t0 38.2 67.18 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -121.87 111.54 17.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -51.37 121.53 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.511 ' CE1' ' HA3' ' A' ' 55' ' ' GLY . 2.6 m-30 -99.37 -53.29 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.6 m -165.56 179.28 6.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.431 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -111.99 136.39 51.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.601 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -85.07 49.29 1.71 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -54.38 43.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.461 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -43.41 118.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.637 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 3.4 pt-20 -87.09 -36.13 18.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 4.3 m-20 -69.12 -18.74 64.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -67.1 171.16 5.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.806 ' CD2' HG22 ' A' ' 30' ' ' THR . 1.4 mt -133.35 157.54 45.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.7 mt -71.19 101.36 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 151.4 -42.26 0.73 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.86 -20.32 66.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 0.775 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -90.36 167.14 17.43 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.501 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 54.48 3.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.514 HG23 ' CD1' ' A' ' 53' ' ' LEU . 9.8 p -119.1 167.43 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.408 ' H ' HG22 ' A' ' 76' ' ' VAL . 10.1 p30 -171.58 158.35 5.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.43 96.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 143.38 -17.92 2.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.2 m -68.55 -170.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -132.41 145.06 50.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.776 ' HB ' HD13 ' A' ' 12' ' ' ILE . 5.8 mm -125.32 119.34 55.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 40.2 t60 -105.28 118.48 36.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.615 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.453 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 84.7 t -93.54 126.1 46.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 88.9 mt -95.92 102.76 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.527 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -60.59 101.09 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.0 OUTLIER -96.72 23.62 6.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.655 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 m -111.75 63.94 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -108.0 -110.57 3.43 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.7 t -129.65 126.63 38.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -165.45 149.43 15.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.2 37.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.9 m -113.22 134.52 54.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 77.5 p -89.51 165.29 14.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 0.0 111.004 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -172.92 98.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 109.993 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 m -39.39 -56.95 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.39 114.58 1.15 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m 45.65 73.06 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.961 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.99 164.35 20.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 110.037 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.8 153.27 19.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.452 HG21 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -135.61 130.58 50.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 0.745 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.6 mtt -83.17 119.06 24.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.6 m -126.7 148.22 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -92.1 103.39 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.781 HD13 ' HB ' ' A' ' 82' ' ' ILE . 5.5 mm -85.08 145.34 8.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 t -141.05 -178.02 5.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.7 p -173.84 132.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.413 ' CB ' ' OD1' ' A' ' 86' ' ' ASP . 0.3 OUTLIER -57.86 -24.4 57.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.028 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.57 -49.33 77.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -105.61 124.31 49.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.36 62.71 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 t80 179.53 160.07 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.12 155.28 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -115.03 169.43 9.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.939 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -122.92 98.83 6.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.621 ' HE3' HG22 ' A' ' 41' ' ' VAL . 7.5 mmtt -125.66 179.39 5.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 3.4 ttp180 -138.56 146.49 41.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 53.8 m-85 -149.93 141.73 23.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.7 t -66.68 145.8 55.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.955 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.452 ' CG ' HG21 ' A' ' 8' ' ' VAL . 2.7 mtm105 -73.19 -2.78 23.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.48 0.37 47.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 109.982 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.497 ' HA ' HD23 ' A' ' 29' ' ' LEU . 7.6 mt -77.2 113.19 14.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.916 HG22 ' CD2' ' A' ' 70' ' ' LEU . 81.3 p -59.75 134.7 57.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.357 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.589 HG21 ' O ' ' A' ' 66' ' ' GLN . 42.7 mm -38.07 -38.33 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -64.93 -53.99 37.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.4 mm-40 -62.73 -43.91 97.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.495 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.6 t80 -46.99 -47.28 21.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.76 ' CG ' HD11 ' A' ' 51' ' ' LEU . 35.8 mttt -62.93 -50.82 69.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.53 -32.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -73.49 -47.95 37.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.665 HD12 ' CD2' ' A' ' 51' ' ' LEU . 8.7 mt -61.08 -34.79 75.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.498 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 62.9 mt-10 -38.37 -30.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' LEU . 11.6 mt -89.83 -47.84 7.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.621 HG22 ' HE3' ' A' ' 23' ' ' LYS . 93.7 t -47.69 -31.97 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -110.47 -32.06 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 85.89 25.72 37.04 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.432 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -125.83 168.49 13.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.789 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.56 23.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.793 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.489 ' HB1' ' CB ' ' A' ' 35' ' ' LYS . . . -67.62 -9.97 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.61 -5.59 55.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' HIS . 59.1 m -128.19 27.78 5.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 108.298 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.07 142.17 26.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -113.26 162.76 15.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.76 HD11 ' CG ' ' A' ' 35' ' ' LYS . 46.5 mt -122.52 139.45 53.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.373 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -122.72 142.55 50.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.636 ' CD1' HG23 ' A' ' 76' ' ' VAL . 48.9 tp -113.52 107.97 16.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -101.91 152.58 20.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.9 -132.13 0.38 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.84 -71.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -74.42 57.85 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER 38.81 61.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -117.07 111.0 18.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -53.37 138.11 33.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -114.88 -69.34 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.8 m -146.1 176.28 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.992 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.9 140.75 48.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.605 HD12 ' CE2' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -88.21 56.58 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -68.83 -40.29 79.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.589 ' O ' HG21 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -65.65 130.16 42.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.575 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 4.2 pt-20 -92.92 -36.68 12.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.422 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 1.3 m-20 -67.57 -26.39 66.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -53.24 171.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.916 ' CD2' HG22 ' A' ' 30' ' ' THR . 3.7 mt -134.38 148.83 50.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 71' ' ' LEU . 1.1 mt -62.05 114.0 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 137.89 -56.03 0.67 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -44.88 -25.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 0.736 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.605 ' CE2' HD12 ' A' ' 64' ' ' LEU . 32.6 m-85 -86.85 169.05 15.82 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.3 Cg_endo -75.05 55.9 4.12 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.486 1.782 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.658 HG22 ' H ' ' A' ' 77' ' ' ASP . 5.1 p -105.94 177.49 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.658 ' H ' HG22 ' A' ' 76' ' ' VAL . 20.6 m-20 -179.46 157.54 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 5.9 p-10 -59.68 97.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.27 -13.45 3.52 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.445 1.091 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.83 -172.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 81' ' ' ARG . 15.2 ttm105 -136.83 131.16 32.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.781 ' HB ' HD13 ' A' ' 12' ' ' ILE . 22.2 mm -113.71 99.95 9.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -91.94 128.94 37.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.576 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.471 HG22 ' CD2' ' A' ' 51' ' ' LEU . 37.3 t -95.34 137.95 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.8 mt -106.43 103.03 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.413 ' OD1' ' CB ' ' A' ' 15' ' ' SER . 5.8 p-10 -55.26 101.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.2 m-70 -102.97 28.34 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.594 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 77.3 p -115.55 80.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.053 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -131.25 -79.49 0.19 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.94 138.23 32.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 0.774 . . . . 0.0 110.048 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' A' ' 92' ' ' PRO . . . -68.88 132.5 26.42 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.4 ' HD3' ' HA2' ' A' ' 91' ' ' GLY . 18.2 Cg_endo -74.97 163.93 34.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.3 p 178.52 93.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.8 t -167.14 -59.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.19 -59.19 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.5 144.07 13.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 109.966 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.44 88.45 0.08 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 m -107.52 105.11 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -120.54 -54.86 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.16 -176.0 1.72 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.427 HG21 ' CG ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -139.13 132.04 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.753 . . . . 0.0 109.302 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.3 mtt -85.94 118.48 25.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.4 m -125.64 149.39 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -92.06 103.32 15.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.764 HD13 ' HB ' ' A' ' 82' ' ' ILE . 7.8 mm -84.35 145.52 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.0 t -150.42 -179.31 7.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.404 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 98.3 p -170.76 155.32 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.93 -9.09 58.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.553 HD11 ' OD1' ' A' ' 86' ' ' ASP . 2.9 mt -81.55 -56.59 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -67.14 178.4 1.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.09 -56.64 2.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -104.52 175.65 5.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -83.42 160.22 21.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -114.8 170.56 8.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.977 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -122.59 98.68 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HE3' HG22 ' A' ' 41' ' ' VAL . 6.1 mmtt -123.11 175.16 6.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.537 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 1.4 ttt-85 -138.58 147.05 42.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 24' ' ' ARG . 39.7 m-85 -152.38 147.58 26.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -73.52 146.23 45.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' A' ' 71' ' ' LEU . 5.1 mtt180 -73.04 -2.69 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.77 2.61 44.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 29' ' ' LEU . 8.6 mt -80.82 118.4 22.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.652 HG22 ' CD2' ' A' ' 70' ' ' LEU . 29.1 p -64.36 133.39 52.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.632 HG22 ' HE3' ' A' ' 35' ' ' LYS . 24.3 mm -37.87 -38.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.667 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -63.36 -54.25 39.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.8 mm-40 -60.78 -53.52 56.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.08 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.944 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.3 t80 -38.7 -55.36 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.632 ' HE3' HG22 ' A' ' 31' ' ' ILE . 46.2 mttt -52.79 -46.08 67.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -46.63 -35.55 6.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.323 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 8.0 mptt -77.5 -40.54 42.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.944 HD21 ' CE1' ' A' ' 34' ' ' PHE . 23.4 mt -65.65 -27.91 68.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.515 ' O ' ' CA ' ' A' ' 43' ' ' GLY . 48.7 mt-10 -44.5 -36.3 2.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.584 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -82.32 -38.84 23.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG22 ' HE3' ' A' ' 23' ' ' LYS . 95.8 t -55.5 -44.62 76.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -102.09 -7.57 9.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 60.24 25.02 61.88 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -122.98 168.48 11.98 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 109.952 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 133.85 16.95 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.527 1.804 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -64.5 -12.72 47.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.0 5.59 48.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.972 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' HIS . 35.4 m -139.74 30.11 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 108.274 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.445 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -150.66 134.34 16.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -102.29 171.43 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.752 HD21 ' CD1' ' A' ' 38' ' ' LEU . 82.0 mt -123.41 165.81 16.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -153.73 149.83 27.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.637 HD13 ' CG2' ' A' ' 76' ' ' VAL . 15.9 tp -116.32 101.93 9.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.56 ' CE2' ' NH2' ' A' ' 81' ' ' ARG . 8.2 m-85 -94.6 143.8 26.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.448 ' HA3' ' CG ' ' A' ' 59' ' ' LYS . . . -74.47 -132.71 0.26 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.36 -72.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -75.08 57.77 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER 39.67 65.89 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' CG ' ' HA3' ' A' ' 55' ' ' GLY . 1.6 ptmt -119.06 102.65 8.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 2.5 t80 -55.61 139.17 45.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 53' ' ' LEU . 2.4 m-30 -117.74 -54.93 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.52 177.72 9.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.431 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -118.94 128.82 54.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.607 HD12 ' CE2' ' A' ' 74' ' ' TYR . 0.3 OUTLIER -85.61 74.52 10.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.84 -44.04 4.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.31 117.86 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.241 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.667 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -76.12 -40.62 52.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -17.42 20.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -80.04 168.68 18.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.244 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.652 ' CD2' HG22 ' A' ' 30' ' ' THR . 1.8 mt -139.82 145.62 38.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.481 ' HA ' HD23 ' A' ' 71' ' ' LEU . 1.5 mt -55.18 117.86 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 131.03 -53.17 0.81 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.76 -27.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 0.78 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.607 ' CE2' HD12 ' A' ' 64' ' ' LEU . 40.3 m-85 -85.62 166.54 29.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.431 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -74.99 55.51 3.97 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.637 ' CG2' HD13 ' A' ' 53' ' ' LEU . 9.9 p -121.11 169.5 12.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.481 ' H ' HG22 ' A' ' 76' ' ' VAL . 3.7 m-20 -167.42 165.45 14.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 9' ' ' MET . 0.9 OUTLIER -61.17 101.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 141.46 -21.78 2.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.14 -172.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.56 ' NH2' ' CE2' ' A' ' 54' ' ' TYR . 32.1 ttp180 -131.81 138.6 48.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.764 ' HB ' HD13 ' A' ' 12' ' ' ILE . 4.4 mm -112.03 99.87 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -82.84 116.98 22.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.569 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.479 HG22 HD23 ' A' ' 51' ' ' LEU . 77.2 t -93.21 125.63 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 72.9 mt -95.81 102.78 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.553 ' OD1' HD11 ' A' ' 16' ' ' LEU . 36.9 t70 -60.06 106.65 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' CYS . 18.1 m-70 -104.98 30.34 5.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.7 t -109.95 82.45 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.69 -155.91 7.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m 54.55 -92.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 109.962 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -173.09 122.27 0.91 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 94.24 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.34 122.7 21.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.959 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.36 122.75 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.11 . . . . 0.0 111.003 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.94 138.4 45.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.024 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -178.96 166.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.979 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.12 100.24 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 p -178.48 111.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m 54.37 102.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.946 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.36 -162.97 11.31 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.449 ' CG2' ' HG3' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -134.06 130.6 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.1 mtp -93.8 110.37 22.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.2 m -114.3 150.79 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -92.26 102.84 15.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.799 HD13 ' HB ' ' A' ' 82' ' ' ILE . 3.9 mm -84.09 140.42 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.5 p -150.16 165.63 32.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.472 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 22.5 p -155.07 150.82 27.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -58.03 -24.62 59.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.51 -55.42 27.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -100.68 116.56 32.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.87 70.68 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -177.18 -178.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 3.8 mpt_? -123.76 135.48 53.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 110.316 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.8 m -101.07 169.24 9.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -122.55 98.55 5.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -120.94 173.85 6.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -136.65 145.71 45.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.441 ' CE1' ' HB3' ' A' ' 37' ' ' LYS . 72.7 m-85 -154.52 151.26 28.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.8 t -71.71 144.56 49.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.449 ' HG3' ' CG2' ' A' ' 8' ' ' VAL . 13.8 mtm180 -72.89 -4.61 32.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.13 -7.32 45.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.581 HD13 ' HD3' ' A' ' 37' ' ' LYS . 9.0 mt -70.95 120.69 16.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.796 HG22 ' CD2' ' A' ' 70' ' ' LEU . 14.0 p -70.75 136.43 48.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.425 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.593 HG22 ' HE3' ' A' ' 35' ' ' LYS . 12.7 mm -36.0 -46.76 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -54.5 -54.55 39.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.5 mm-40 -62.3 -52.31 64.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.593 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.7 t80 -42.7 -51.22 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.813 ' CG ' HD11 ' A' ' 51' ' ' LEU . 25.7 mttt -54.01 -36.54 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -59.31 -34.83 72.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 108.316 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.581 ' HD3' HD13 ' A' ' 29' ' ' LEU . 2.9 mptt -71.86 -33.7 68.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.593 HD21 ' CE1' ' A' ' 34' ' ' PHE . 19.1 mt -70.95 -28.36 64.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.667 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 37.4 mt-10 -50.6 -27.93 7.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -93.07 -30.21 15.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 37' ' ' LYS . 47.0 t -66.16 -51.6 57.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 38' ' ' LEU . 1.6 m -92.0 -17.05 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.34 3.64 66.52 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.6 OUTLIER -101.85 172.09 4.72 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.2 22.64 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.545 1.813 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.667 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . . . -75.39 -1.23 22.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.09 4.6 44.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 87' ' ' HIS . 69.4 m -141.48 26.43 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.461 ' O ' ' CG ' ' A' ' 49' ' ' MET . 0.4 OUTLIER -142.78 128.18 18.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -95.14 159.91 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.813 HD11 ' CG ' ' A' ' 35' ' ' LYS . 17.2 mt -111.39 166.08 11.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.529 ' O ' HD13 ' A' ' 82' ' ' ILE . 27.9 mt-10 -153.3 150.0 28.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.515 ' HB2' HD21 ' A' ' 64' ' ' LEU . 46.2 tp -123.89 126.92 47.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -116.41 154.47 30.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' A' ' 61' ' ' TYR . . . -62.7 -131.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -98.7 -71.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 12.5 t70 -49.01 -54.61 14.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER 154.82 45.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -106.97 114.36 28.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -50.36 137.44 18.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.473 ' CE2' ' HA2' ' A' ' 55' ' ' GLY . 4.3 m-30 -114.16 -72.49 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 53' ' ' LEU . 3.7 m -143.28 172.87 12.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -110.41 135.85 50.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -88.73 74.08 8.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.5 -41.55 6.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.471 ' HB3' ' CB ' ' A' ' 69' ' ' ALA . 0.7 OUTLIER -50.08 110.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 13.2 mt-10 -74.22 -25.59 59.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.0 0.04 46.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 66' ' ' GLN . . . -92.23 160.49 15.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.796 ' CD2' HG22 ' A' ' 30' ' ' THR . 9.4 mt -126.29 147.42 49.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 71' ' ' LEU . 1.3 mt -60.05 112.72 1.99 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.413 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 138.9 -56.95 0.63 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.63 -26.16 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 110.001 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.469 ' CD2' HD12 ' A' ' 64' ' ' LEU . 36.5 m-85 -87.16 168.49 17.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -74.97 55.23 3.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.8 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.561 HG22 ' H ' ' A' ' 77' ' ' ASP . 6.3 p -102.78 172.33 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.561 ' H ' HG22 ' A' ' 76' ' ' VAL . 7.1 p-10 -177.86 147.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -49.42 101.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 132.75 -7.93 5.22 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 7.0 p -58.22 -162.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -152.29 113.55 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.799 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.9 mm -94.16 107.24 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -91.73 102.21 14.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.616 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.448 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 91.6 t -78.29 120.95 30.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.404 HD11 ' CD ' ' A' ' 52' ' ' GLU . 58.4 mt -93.35 102.86 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.7 104.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.0 OUTLIER -103.62 29.51 5.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.609 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.13 -59.85 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.033 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -43.95 -76.53 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.62 105.16 13.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 0.715 . . . . 0.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 176.8 -174.74 47.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 174.85 12.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 111.033 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.1 m -113.51 150.24 33.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.8 t -102.53 157.96 16.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -108.58 99.86 9.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.05 89.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.06 -124.89 2.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.128 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.53 125.27 15.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.72 86.52 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.961 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.29 -163.03 33.98 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.427 ' CG2' ' HG3' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -143.62 134.58 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 79' ' ' GLY . 2.0 mtp -93.55 118.12 30.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.69 151.88 32.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -92.01 102.53 15.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.915 HD13 ' HB ' ' A' ' 82' ' ' ILE . 4.9 mm -84.17 131.52 33.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 0.0 109.352 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 p -130.13 175.73 8.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.455 1.097 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.448 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 52.4 p -159.61 143.47 14.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -17.08 64.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.844 HD11 ' OD1' ' A' ' 86' ' ' ASP . 2.6 mt -75.22 -58.75 3.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 1.086 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -87.05 119.8 27.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.2 m -74.3 64.09 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 t80 178.85 160.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -102.66 149.16 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 m -112.12 168.82 9.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -123.0 98.94 6.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HE3' HG22 ' A' ' 41' ' ' VAL . 3.6 mmtt -123.9 175.82 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -138.53 145.21 40.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.468 ' OH ' HG21 ' A' ' 41' ' ' VAL . 30.4 m-85 -147.0 148.71 31.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 t -70.51 144.97 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 71' ' ' LEU . 9.7 mtt180 -75.46 -0.48 20.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.36 2.72 31.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.5 mt -77.8 122.86 25.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.59 HG22 ' CD2' ' A' ' 70' ' ' LEU . 40.1 p -64.55 129.03 38.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.616 HG21 ' O ' ' A' ' 66' ' ' GLN . 47.1 mm -35.67 -40.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -62.05 -56.87 14.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.2 mm-40 -57.79 -45.98 85.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 1.006 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.6 t80 -47.92 -51.49 23.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.641 ' CG ' HD11 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -55.47 -37.17 67.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -63.32 -30.36 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -75.64 -31.5 59.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.006 HD21 ' CE1' ' A' ' 34' ' ' PHE . 15.0 mt -76.96 -27.11 54.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.632 ' HG3' ' HB2' ' A' ' 46' ' ' ALA . 34.0 mt-10 -45.81 -35.92 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.07 -30.01 20.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.512 HG11 HG21 ' A' ' 12' ' ' ILE . 85.1 t -60.29 -41.9 88.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -106.92 -18.83 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 80.08 2.76 89.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -99.14 165.72 14.33 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 109.97 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.62 16.75 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.632 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . . . -68.41 -21.19 64.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 59.7 p -77.91 0.56 23.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' HIS . 66.3 m -140.11 29.49 2.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.444 ' SD ' HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -146.42 127.9 15.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.979 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.23 173.45 7.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.763 HD21 HD12 ' A' ' 38' ' ' LEU . 85.1 mt -125.23 152.99 43.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.425 ' O ' HD13 ' A' ' 82' ' ' ILE . 2.0 mt-10 -137.81 145.16 41.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.5 tp -119.49 111.99 18.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -106.62 151.51 24.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.49 -133.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.66 -71.83 0.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -55.71 -50.74 69.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 1.6 p30 155.02 47.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -98.81 115.33 28.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.9 128.09 35.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.6 m-30 -106.72 -61.93 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -161.59 171.72 17.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.43 ' CD ' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -114.7 128.04 56.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.605 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -69.2 65.56 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 63' ' ' LYS . 2.4 t70 -73.04 -53.55 10.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.616 ' O ' HG21 ' A' ' 31' ' ' ILE . 7.3 tp60 -45.13 138.14 4.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 14.9 mt-10 -98.55 -38.78 9.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -11.39 60.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -66.59 168.9 8.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.59 ' CD2' HG22 ' A' ' 30' ' ' THR . 5.6 mt -132.28 150.31 52.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 27' ' ' ARG . 1.6 mt -67.55 101.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.7 -42.59 0.67 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.467 1.105 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.71 -16.25 25.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.553 ' CE2' HD12 ' A' ' 64' ' ' LEU . 53.4 m-85 -98.97 165.31 15.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 57.4 4.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.514 1.797 . . . . 0.0 111.042 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.441 HG23 ' SG ' ' A' ' 80' ' ' CYS . 9.3 p -109.29 154.26 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -150.26 165.08 34.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.78 98.28 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 136.41 -9.82 4.07 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' A' ' 76' ' ' VAL . 11.8 p -57.34 -165.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 81' ' ' ARG . 22.3 ttm105 -143.64 111.12 5.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.915 ' HB ' HD13 ' A' ' 12' ' ' ILE . 6.4 mm -98.05 105.32 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -92.58 126.25 37.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.635 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.444 HG13 ' SD ' ' A' ' 49' ' ' MET . 20.0 t -90.83 120.3 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 53.3 mt -88.67 102.73 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.844 ' OD1' HD11 ' A' ' 16' ' ' LEU . 11.6 t0 -58.8 100.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.5 m-70 -101.03 28.64 5.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.592 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.7 p -123.82 84.81 2.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -150.64 68.2 0.33 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.2 m 62.52 116.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 110.033 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -164.34 -100.36 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 176.79 9.46 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 m -102.42 -59.6 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.2 t 60.95 122.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -149.5 -57.49 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 110.033 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -162.33 136.52 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.48 98.13 0.19 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.14 102.4 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 110.006 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m 60.01 89.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.13 -151.82 26.07 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.442 ' CG2' ' HG3' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -145.59 139.63 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.1 ttm -92.72 122.93 35.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.639 HG12 ' SG ' ' A' ' 80' ' ' CYS . 32.7 m -130.22 143.07 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -91.87 104.28 16.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.546 HG21 HG11 ' A' ' 41' ' ' VAL . 19.8 mm -84.16 135.5 24.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.6 p -146.67 144.08 29.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.99 158.51 43.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.64 19.1 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 86' ' ' ASP . 6.7 mt -93.01 -65.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -101.6 133.66 45.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -71.0 74.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -174.32 160.11 3.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -99.27 163.53 12.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -126.29 127.83 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.046 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -110.67 99.05 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -126.65 -179.42 4.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -136.83 143.16 42.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -138.82 -178.74 5.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.593 ' H ' HD12 ' A' ' 29' ' ' LEU . 23.3 t -105.32 145.69 30.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.442 ' HG3' ' CG2' ' A' ' 8' ' ' VAL . 30.9 mtm180 -75.35 -4.45 39.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.1 m -102.85 4.18 37.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.593 HD12 ' H ' ' A' ' 26' ' ' SER . 6.5 mt -80.0 124.56 28.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.569 ' HA ' HD23 ' A' ' 70' ' ' LEU . 63.1 p -65.61 128.82 37.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.814 HG22 ' HE3' ' A' ' 35' ' ' LYS . 48.0 mm -35.2 -43.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -57.64 -57.47 12.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.8 mm-40 -56.76 -53.16 60.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -40.73 -45.8 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.814 ' HE3' HG22 ' A' ' 31' ' ' ILE . 20.2 mttt -60.9 -45.75 93.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.4 t -48.97 -36.82 18.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 108.268 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' NZ ' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -69.56 -38.47 77.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.475 ' O ' HG22 ' A' ' 42' ' ' VAL . 40.1 mt -67.11 -37.96 84.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.731 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 34.0 mt-10 -39.19 -34.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.5 mt -88.52 -41.83 12.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.546 HG11 HG21 ' A' ' 12' ' ' ILE . 90.8 t -49.88 -40.93 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.475 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -103.77 -32.42 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.502 ' CA ' ' O ' ' A' ' 39' ' ' GLU . . . 90.75 15.26 56.9 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.443 ' CB ' ' CD ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -114.5 175.11 2.0 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.974 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 44' ' ' SER . 18.3 Cg_endo -75.04 138.11 22.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.451 1.764 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.806 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -78.96 -20.02 50.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.85 5.58 18.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.6 m -123.66 -58.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 108.312 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.569 ' SD ' HG13 ' A' ' 84' ' ' VAL . 7.6 ptp -55.05 149.31 12.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.496 ' C ' HD23 ' A' ' 51' ' ' LEU . 6.6 tp10 -108.51 157.06 18.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.748 HD11 ' CG ' ' A' ' 35' ' ' LYS . 6.4 mt -107.52 157.74 17.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 21.5 mt-10 -153.16 138.3 17.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 76' ' ' VAL . 59.6 tp -112.25 111.45 22.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 68.2 m-85 -106.26 144.31 33.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.927 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.36 -122.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.65 -70.26 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 0.777 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ASP . 61.4 t0 -73.73 58.07 0.61 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 7.2 t0 38.34 55.45 1.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -108.74 112.73 25.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -58.94 135.71 57.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -111.11 -70.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.0 t -142.43 177.15 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.96 129.8 55.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.513 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -82.6 61.41 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.63 -50.5 6.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.885 ' HG2' ' HB2' ' A' ' 69' ' ' ALA . 2.9 tp-100 -41.33 107.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.266 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 2.2 mt-10 -76.05 -27.43 57.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.39 6.12 24.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.885 ' HB2' ' HG2' ' A' ' 66' ' ' GLN . . . -93.89 166.95 11.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 30' ' ' THR . 8.2 mt -129.84 151.85 49.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 71' ' ' LEU . 1.2 mt -64.61 109.78 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 74' ' ' TYR . . . 142.75 -56.68 0.57 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.0 -25.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 0.746 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.441 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 31.8 m-85 -86.16 169.4 15.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 74' ' ' TYR . 18.2 Cg_endo -75.02 55.23 3.89 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.538 HG22 ' H ' ' A' ' 77' ' ' ASP . 5.8 p -107.23 171.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.538 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.6 p30 -174.98 144.55 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.1 111.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 80' ' ' CYS . . . 119.58 -5.99 12.78 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.456 1.097 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.639 ' SG ' HG12 ' A' ' 10' ' ' VAL . 9.2 p -55.81 -168.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -148.99 111.42 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.503 ' HB ' HD13 ' A' ' 12' ' ' ILE . 5.2 mm -99.46 116.48 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -96.95 130.04 44.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.569 HG13 ' SD ' ' A' ' 49' ' ' MET . 78.1 t -101.82 112.57 35.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.492 HD12 ' HB3' ' A' ' 50' ' ' GLU . 64.5 mt -82.48 103.03 9.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.43 ' HB3' HD21 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -54.38 90.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -101.65 21.34 14.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.561 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 t -85.8 62.62 7.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -84.22 80.54 1.82 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.2 t 62.99 117.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.982 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -150.05 112.72 0.56 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.39 18.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.514 1.797 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.9 p -156.11 155.36 32.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.4 p -129.83 163.01 27.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.947 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 110.965 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -167.23 -57.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 0.748 . . . . 0.0 109.968 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.6 m -103.09 -60.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.53 -105.17 0.23 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -165.03 -67.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -172.79 170.32 4.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.39 -155.95 24.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.512 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -141.09 129.07 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 109.312 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.5 mtt -81.82 114.69 20.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.2 m -122.59 152.59 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -91.81 102.76 15.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.631 HD13 ' HB ' ' A' ' 82' ' ' ILE . 9.7 mm -84.82 130.73 35.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.438 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -131.66 175.76 8.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.986 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.443 ' CB ' HG12 ' A' ' 42' ' ' VAL . 1.6 p -170.15 148.2 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.41 -21.83 66.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 86' ' ' ASP . 3.3 mt -67.14 -50.15 62.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -77.84 166.95 22.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 t -92.08 -41.89 10.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.6 -166.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.438 ' CG ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -99.83 159.81 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.367 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -111.46 168.98 9.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -122.65 98.48 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -122.32 173.7 7.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.19 147.53 43.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -153.45 142.73 21.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.2 t -69.47 148.44 49.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.044 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.512 ' HG2' HG21 ' A' ' 8' ' ' VAL . 6.7 mtt180 -73.26 -2.48 22.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.348 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.1 p -100.13 -5.12 28.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.518 ' HA ' HD23 ' A' ' 29' ' ' LEU . 6.7 mt -71.4 114.0 9.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.786 HG22 ' CD2' ' A' ' 70' ' ' LEU . 72.4 p -58.92 134.42 56.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.573 HG21 ' O ' ' A' ' 66' ' ' GLN . 44.1 mm -37.42 -42.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -59.89 -54.34 47.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' THR . 3.7 mm-40 -62.4 -42.74 99.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.568 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.8 t80 -49.19 -44.64 43.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' CG ' HD11 ' A' ' 51' ' ' LEU . 3.6 mttm -66.32 -46.37 77.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -28.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 108.298 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.675 ' O ' HD22 ' A' ' 40' ' ' LEU . 19.0 mmtt -79.11 -50.94 10.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.83 HD12 HD21 ' A' ' 51' ' ' LEU . 17.8 mt -55.25 -27.06 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' GLY . 82.3 mt-10 -44.65 -57.44 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.817 ' N ' HD13 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -66.16 -40.3 90.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.6 t -49.07 -63.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 38' ' ' LEU . 2.2 m -82.65 -8.78 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . 65.43 27.03 72.07 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -125.69 167.59 16.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.966 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 138.5 22.97 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' CB ' ' OE2' ' A' ' 39' ' ' GLU . . . -62.2 -17.0 56.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.59 2.19 49.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 87' ' ' HIS . 63.6 m -137.27 38.01 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.436 ' SD ' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -153.08 137.8 16.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 111.018 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -107.75 159.89 16.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.83 HD21 HD12 ' A' ' 38' ' ' LEU . 18.7 mt -114.0 149.97 34.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -143.37 139.71 30.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.337 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.557 ' CD1' HG23 ' A' ' 76' ' ' VAL . 38.1 tp -112.32 116.98 31.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -107.72 154.1 21.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LYS . . . -65.0 -124.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.161 . . . . 0.0 111.039 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.69 -70.4 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -54.12 -52.06 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 0.9 OUTLIER 155.46 46.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 55' ' ' GLY . 22.8 tttt -102.56 114.1 28.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -59.87 136.56 58.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -109.47 -70.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.1 t -146.66 -176.91 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.7 mttp -116.53 142.56 46.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.511 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -91.11 59.71 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -71.99 -54.48 9.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.573 ' O ' HG21 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -43.27 126.42 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.632 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 3.2 pt-20 -93.74 -36.64 12.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.44 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -69.62 -8.61 49.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' A' ' 66' ' ' GLN . . . -75.48 177.5 6.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.786 ' CD2' HG22 ' A' ' 30' ' ' THR . 2.6 mt -139.26 155.64 47.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.358 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 27' ' ' ARG . 1.9 mt -70.21 105.32 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 147.69 -45.61 0.74 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.133 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.5 -22.27 42.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 110.008 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -91.57 165.76 20.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.557 ' C ' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.02 55.3 3.92 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.557 HG23 ' CD1' ' A' ' 53' ' ' LEU . 8.9 p -119.08 168.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.438 ' H ' HG22 ' A' ' 76' ' ' VAL . 20.4 m-20 -170.98 166.46 7.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 9' ' ' MET . 1.1 p-10 -62.42 102.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 138.51 -25.51 2.85 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -57.6 -170.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -136.13 121.0 18.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.631 ' HB ' HD13 ' A' ' 12' ' ' ILE . 19.1 mm -107.69 105.52 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -86.89 140.69 29.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.549 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.436 ' CG1' ' SD ' ' A' ' 49' ' ' MET . 31.7 t -112.67 106.07 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.365 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.7 mt -78.46 102.77 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.598 ' HB3' HD11 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -54.03 97.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 48' ' ' CYS . 0.4 OUTLIER -92.86 21.22 5.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.602 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.03 25.97 11.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.982 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.97 67.82 0.28 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.54 93.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 110.042 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.97 96.38 0.19 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.89 5.84 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t 65.51 156.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 t -149.5 -58.9 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.459 1.1 . . . . 0.0 111.013 180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 p -143.54 144.74 32.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.739 . . . . 0.0 110.015 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.12 157.42 16.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.12 -77.25 0.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.87 97.77 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.48 158.82 3.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.23 -140.9 6.68 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.555 HG21 ' HG2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -143.94 137.65 24.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 0.794 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 ttm -93.49 111.98 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.3 m -122.8 143.73 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -92.37 105.18 17.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.768 HD13 ' HB ' ' A' ' 82' ' ' ILE . 8.8 mm -83.58 133.39 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.72 165.37 26.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.0 p -165.06 153.87 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.003 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -7.62 50.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.852 HD11 ' HB3' ' A' ' 86' ' ' ASP . 0.4 OUTLIER -88.8 -45.82 9.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.89 -27.22 25.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m 70.75 -66.62 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.04 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -58.81 174.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.01 143.16 26.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 12' ' ' ILE . 0.7 OUTLIER -107.34 142.38 37.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -113.89 98.83 7.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HE3' HG22 ' A' ' 41' ' ' VAL . 1.5 mmtm -127.57 -179.28 4.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.1 ttt-85 -138.41 146.41 42.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.569 ' OH ' HG21 ' A' ' 41' ' ' VAL . 87.5 m-85 -149.08 178.21 8.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 t -102.71 147.7 26.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.555 ' HG2' HG21 ' A' ' 8' ' ' VAL . 5.7 mtp180 -74.96 -1.3 21.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.82 -7.48 23.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.3 mt -67.35 109.49 3.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.716 HG22 ' CD2' ' A' ' 70' ' ' LEU . 43.6 p -56.13 133.43 52.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' A' ' 64' ' ' LEU . 44.7 mm -36.62 -42.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.843 ' HB2' ' HB2' ' A' ' 67' ' ' GLU . . . -61.87 -54.81 36.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 30' ' ' THR . 2.8 mm-40 -59.68 -44.02 93.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.935 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.5 t80 -48.41 -46.24 37.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.709 ' CG ' HD11 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -61.63 -49.92 74.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.72 -29.36 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 108.356 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -77.26 -51.14 11.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.935 HD21 ' CE1' ' A' ' 34' ' ' PHE . 17.5 mt -53.63 -28.45 32.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.538 ' CG ' ' HB2' ' A' ' 46' ' ' ALA . 31.7 mt-10 -47.41 -31.59 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.247 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -92.25 -25.95 18.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.662 HG11 HG21 ' A' ' 12' ' ' ILE . 44.9 t -71.06 -42.07 76.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -103.12 -8.43 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.94 21.25 60.98 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.456 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.9 OUTLIER -118.68 168.88 8.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.933 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 136.19 20.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.553 1.817 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB2' ' CG ' ' A' ' 39' ' ' GLU . . . -71.66 -5.77 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.75 4.7 52.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 87' ' ' HIS . 57.7 m -144.11 33.33 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.308 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.443 ' SD ' HG11 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -148.4 129.95 14.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -96.83 159.14 15.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.724 HD21 HD12 ' A' ' 38' ' ' LEU . 39.5 mt -115.37 141.55 47.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.553 ' CD ' HD11 ' A' ' 85' ' ' ILE . 9.4 mt-10 -132.87 148.48 52.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.703 HD21 ' O ' ' A' ' 75' ' ' PRO . 18.3 tp -119.22 107.73 13.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -101.2 154.53 18.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.16 -120.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.74 -69.59 0.83 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.746 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 58' ' ' ASP . 4.1 m-20 -63.57 -47.49 81.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 57' ' ' ASP . 2.7 t70 159.11 72.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -127.03 95.11 4.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -53.77 138.8 34.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -114.65 -78.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.14 171.06 15.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -108.64 132.93 53.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.587 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -76.96 57.12 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -66.58 -52.6 43.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.549 ' O ' HG21 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -52.22 123.71 11.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.843 ' HB2' ' HB2' ' A' ' 32' ' ' ALA . 3.7 pt-20 -89.26 -35.77 15.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.441 ' N ' ' HG2' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -67.11 -15.27 63.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.541 ' HB3' HG13 ' A' ' 31' ' ' ILE . . . -70.03 173.81 6.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.716 ' CD2' HG22 ' A' ' 30' ' ' THR . 0.7 OUTLIER -135.81 160.88 37.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 27' ' ' ARG . 2.1 mt -75.12 104.79 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 148.14 -44.52 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -15.79 59.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 110.028 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CE2' HD12 ' A' ' 64' ' ' LEU . 20.3 m-85 -94.11 168.42 11.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.703 ' O ' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 54.43 3.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.588 HG23 ' CD1' ' A' ' 53' ' ' LEU . 8.9 p -122.96 168.3 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.439 ' H ' HG22 ' A' ' 76' ' ' VAL . 27.3 t0 -174.96 164.15 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -51.89 117.56 2.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 117.01 -24.9 9.13 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.6 m -55.62 -172.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -137.57 142.31 41.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.768 ' HB ' HD13 ' A' ' 12' ' ' ILE . 11.7 mm -121.15 102.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -89.94 119.29 30.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.603 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.443 HG11 ' SD ' ' A' ' 49' ' ' MET . 58.6 t -94.04 126.66 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.553 HD11 ' CD ' ' A' ' 52' ' ' GLU . 35.4 mt -96.93 103.82 15.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.852 ' HB3' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -57.24 106.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' CYS . 1.4 m-70 -104.3 24.06 12.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 109.631 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.5 -56.19 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.076 . . . . 0.0 109.981 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 90' ' ' SER . . . -63.71 110.06 3.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 89' ' ' GLY . 3.5 t 81.91 100.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 0.733 . . . . 0.0 109.992 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 152.04 113.97 0.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 119.04 5.49 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.06 138.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.42 -57.96 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.486 1.117 . . . . 0.0 110.991 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -157.38 105.62 2.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.787 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 45.76 78.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.052 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.22 -77.67 0.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 7' ' ' GLY . 3.0 m -67.41 -42.6 82.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.523 0.778 . . . . 0.0 110.02 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.44 -82.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.011 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -174.78 -141.42 3.64 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.66 131.58 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' GLY . 1.2 mtt -89.74 112.66 24.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.1 m -120.46 153.72 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -91.95 103.38 15.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.803 HD13 ' HB ' ' A' ' 82' ' ' ILE . 12.0 mm -85.65 139.38 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.465 ' HB3' ' CG ' ' A' ' 20' ' ' ARG . 94.2 p -140.24 177.88 7.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.52 ' HB3' HG12 ' A' ' 42' ' ' VAL . 21.8 p -163.84 137.24 5.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -24.23 67.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 86' ' ' ASP . 1.3 mt -63.08 -50.08 71.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -99.0 127.39 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.01 60.11 1.77 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.2 t80 179.54 161.2 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' CG ' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -105.93 163.71 12.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.27 173.04 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -122.11 98.01 5.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 10.1 mmtt -113.85 177.1 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 5.2 ttt-85 -138.51 146.86 42.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.56 ' OH ' HG21 ' A' ' 41' ' ' VAL . 35.0 m-85 -153.76 148.47 26.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.9 t -73.99 146.93 43.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 6.5 mtt180 -74.76 -1.66 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 m -103.09 -0.39 30.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.072 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 29' ' ' LEU . 7.1 mt -74.38 120.66 20.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' GLU . 62.1 p -64.11 131.02 46.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.479 ' CG2' ' HE3' ' A' ' 35' ' ' LYS . 49.1 mm -37.64 -42.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 67' ' ' GLU . . . -59.55 -53.21 60.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' THR . 4.2 mm-40 -61.39 -54.71 40.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.884 ' CE1' HD21 ' A' ' 38' ' ' LEU . 1.6 t80 -37.34 -58.21 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.623 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 71.9 mttt -50.17 -44.56 52.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' GLU . 1.4 t -54.04 -37.7 64.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 108.279 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -70.21 -31.71 69.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.884 HD21 ' CE1' ' A' ' 34' ' ' PHE . 25.6 mt -74.96 -28.33 60.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 44' ' ' SER . 74.3 mt-10 -48.82 -26.88 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.645 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -93.49 -25.86 17.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.56 HG21 ' OH ' ' A' ' 25' ' ' TYR . 32.9 t -72.79 -47.75 48.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.701 HG11 HG11 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -92.92 -32.48 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 39' ' ' GLU . . . 93.81 -6.95 73.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -95.36 162.92 23.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.992 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 136.54 20.61 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.623 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -65.96 -11.44 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.69 -3.35 58.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 87' ' ' HIS . 83.1 m -137.61 29.06 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.516 ' SD ' HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -145.28 131.18 19.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.465 ' HB3' HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -99.6 168.17 10.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.301 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.439 HD11 ' HG2' ' A' ' 35' ' ' LYS . 51.3 mt -124.35 155.86 38.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.61 ' HG3' HD11 ' A' ' 85' ' ' ILE . 3.2 mm-40 -140.09 140.85 36.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.52 HD13 HG23 ' A' ' 76' ' ' VAL . 15.3 tp -112.31 108.68 17.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 52' ' ' GLU . 76.2 m-85 -103.82 143.3 33.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.476 ' HA3' ' CG ' ' A' ' 59' ' ' LYS . . . -67.96 -123.72 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.118 . . . . 0.0 111.057 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.36 -70.69 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 58' ' ' ASP . 46.3 p-10 -74.79 58.03 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 57' ' ' ASP . 22.6 t70 39.98 65.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' CG ' ' HA3' ' A' ' 55' ' ' GLY . 12.3 ptmt -117.42 109.3 16.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.601 ' CE1' ' OE2' ' A' ' 52' ' ' GLU . 34.8 t80 -60.17 133.91 56.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.401 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 3.6 m-30 -114.42 -65.3 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.77 169.05 24.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -104.74 143.05 33.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.424 ' N ' HD13 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -86.28 73.52 10.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -94.54 -51.67 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.546 ' CG ' ' HB2' ' A' ' 69' ' ' ALA . 30.8 tp60 -41.32 104.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -75.99 -21.85 56.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.265 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.21 6.88 40.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.546 ' HB2' ' CG ' ' A' ' 66' ' ' GLN . . . -95.08 164.41 12.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.42 ' CD2' HG22 ' A' ' 30' ' ' THR . 4.0 mt -125.55 148.45 48.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 34' ' ' PHE . 1.5 mt -64.3 101.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.69 -45.26 0.6 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.32 -21.64 50.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 110.03 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -90.64 166.45 19.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.56 3.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.52 HG23 HD13 ' A' ' 53' ' ' LEU . 4.9 p -115.65 167.91 7.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.5 p30 -170.97 159.77 6.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.72 102.33 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' MET . . . 135.17 -13.13 4.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.442 1.089 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.496 ' SG ' ' CG2' ' A' ' 76' ' ' VAL . 9.3 p -58.78 -164.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -146.77 111.02 5.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.803 ' HB ' HD13 ' A' ' 12' ' ' ILE . 4.2 mm -96.73 113.43 31.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -98.65 124.35 43.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.628 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.701 HG11 HG11 ' A' ' 42' ' ' VAL . 32.5 t -92.19 116.34 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.61 HD11 ' HG3' ' A' ' 52' ' ' GLU . 16.0 mt -89.73 102.9 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.572 ' HB2' HD11 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -55.59 102.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' CYS . 0.9 OUTLIER -101.11 25.32 8.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.597 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.4 t -112.41 62.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -65.09 -118.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.72 177.84 5.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.964 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.85 166.57 11.12 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.782 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.83 96.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.3 p -176.3 -59.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.999 . . . . . . . . 0 0 . 1 stop_ save_