data_1x4n_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 1x4n _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 ' 15' ' ' MET . . . . . . . . . . . . . 3.8 ptm . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.525 0.202 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.3 m -111.58 135.57 51.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -128.55 146.77 50.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -108.93 109.28 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -116.68 131.34 56.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -101.86 139.28 37.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 m -132.58 159.51 72.15 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.418 ' CD ' HG21 ' A' ' 82' ' ' VAL . 18.2 Cg_endo -75.05 117.84 5.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -52.16 -24.61 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.08 -0.39 60.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.3 mmm -127.57 -43.04 1.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 0.742 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.3 p -44.16 -49.76 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.482 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -49.64 -29.82 12.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.571 1.169 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -94.47 -20.55 19.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.788 . . . . 0.0 110.985 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 mt -65.86 -42.71 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.479 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.2 mp -54.02 -58.11 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -63.2 -37.56 87.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -37.19 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -42.91 69.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -32.24 71.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.466 HG22 ' CB ' ' A' ' 77' ' ' LEU . 23.1 mt -76.41 -37.85 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -70.93 -32.27 69.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -85.84 -27.04 25.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.82 -48.85 51.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.252 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.3 p -93.45 -8.75 40.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.3 27.02 62.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 158.42 18.64 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.96 144.3 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' A' ' 64' ' ' LEU . 44.0 mt -136.66 105.5 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.74 100.14 11.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.0 mt -95.14 137.2 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -118.05 137.84 52.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.76 119.04 33.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.8 t -67.52 143.5 56.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.9 m -132.27 113.96 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 108.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.16 114.89 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' CD2' HG12 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -99.66 145.82 27.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.8 m -144.52 129.54 18.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.36 -166.62 26.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.0 p -58.15 161.82 6.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.427 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.17 4.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -71.71 -24.24 61.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.4 m -85.21 -36.28 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.02 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 37.3 t -60.93 -45.7 97.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.17 -51.88 53.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.82 -47.64 42.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.35 -48.65 78.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -48.73 -50.68 32.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -50.94 -40.87 58.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.466 ' CB ' HG22 ' A' ' 40' ' ' ILE . 5.9 mt -65.58 -49.38 69.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.3 mt -55.83 -66.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.41 -41.68 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -58.75 5.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 67.0 mt -45.81 -51.49 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.418 HG21 ' CD ' ' A' ' 22' ' ' PRO . 58.8 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.2 ptm . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.523 0.201 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.8 m -125.81 123.45 38.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' OE1' ' NZ ' ' A' ' 75' ' ' LYS . 2.1 tt0 -117.87 172.17 7.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -125.38 98.95 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.506 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 38.6 t80 -103.42 122.81 45.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -94.35 143.53 26.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.444 HG23 ' CG2' ' A' ' 26' ' ' VAL . 17.1 m -138.1 158.65 70.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.98 5.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -29.27 15.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.48 -6.9 51.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' PHE . 96.8 mmm -124.9 -40.19 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.497 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -44.08 -49.92 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.497 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -50.01 -30.19 15.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -94.24 -22.38 18.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.992 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 mt -64.2 -41.82 93.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 26' ' ' VAL . 1.2 mp -55.95 -60.23 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -58.7 -34.24 71.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.417 ' CD1' HD23 ' A' ' 78' ' ' LEU . 8.0 tp -84.56 -38.82 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 t -45.66 -50.8 13.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -37.32 75.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.47 HG22 ' CB ' ' A' ' 77' ' ' LEU . 37.6 mt -71.67 -38.12 65.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -69.96 -33.9 72.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -83.58 -31.0 26.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.9 -48.24 63.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.491 ' OG ' ' CB ' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -93.51 -2.12 54.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.85 36.06 25.67 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.29 150.45 43.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -86.03 144.32 27.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.467 HG12 ' CD2' ' A' ' 64' ' ' LEU . 20.3 mt -133.65 104.96 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.33 100.12 10.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 mt -95.03 142.89 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.415 ' O ' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -131.27 136.49 48.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' NH1' ' O ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -93.18 115.48 28.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.8 t -62.11 132.92 54.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.078 . . . . 0.0 109.954 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 62.9 m -128.04 113.38 15.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 108.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.7 mmm -84.05 118.7 24.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 48' ' ' ILE . 1.2 mp -98.93 150.83 21.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.6 m -144.51 131.98 20.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.387 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.12 -169.18 24.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.4 p -53.62 162.36 1.32 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 110.395 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.429 ' O ' ' NE2' ' A' ' 72' ' ' GLN . 18.3 Cg_endo -74.98 -41.24 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.25 -17.87 64.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 m -87.95 -41.36 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.1 t -56.74 -46.79 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 68' ' ' PRO . 1.4 mp0 -65.95 -48.67 70.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.9 m -53.97 -48.26 70.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.491 ' CB ' ' OG ' ' A' ' 44' ' ' SER . . . -61.04 -44.5 97.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.506 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 19.6 mtmt -50.42 -53.0 32.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -46.94 -48.96 21.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.47 ' CB ' HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -58.68 -50.51 73.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.417 HD23 ' CD1' ' A' ' 37' ' ' ILE . 30.8 mt -54.42 -69.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 78' ' ' LEU . 12.1 t0 -40.56 -51.17 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -61.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.508 HG23 ' CE2' ' A' ' 28' ' ' PHE . 97.1 mt -40.57 -63.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.0 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.8 ptm . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.487 0.184 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.449 ' CG2' ' HE1' ' A' ' 63' ' ' MET . 14.2 m -120.25 135.21 55.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -123.94 168.51 12.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -125.09 100.09 6.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 31.8 t80 -108.2 133.05 53.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -104.91 145.3 30.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 m -139.99 161.23 57.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.453 ' CD ' HG21 ' A' ' 82' ' ' VAL . 18.2 Cg_endo -75.01 116.41 4.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -52.49 -21.57 3.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.2 4.32 63.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 98.6 mmm -131.31 -45.14 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 0.721 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 8.2 p -42.23 -51.79 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.468 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -46.25 -34.98 6.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -87.93 -25.06 23.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.981 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.468 HG12 ' CG2' ' A' ' 81' ' ' ILE . 10.8 mt -63.55 -27.5 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.5 mt -61.55 -61.34 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -62.82 -34.95 78.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.49 -36.56 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -55.27 -39.82 70.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -64.63 -34.27 77.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.4 mt -72.05 -39.62 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -71.0 -34.14 71.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -85.41 -23.88 27.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 3.2 mm-40 -72.02 -49.06 40.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.3 p -95.03 -9.56 33.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.77 26.6 67.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -109.94 157.03 19.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -86.99 142.57 27.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.9 mt -135.0 108.08 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -105.71 100.14 9.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.9 mt -95.91 140.66 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.16 133.64 41.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.84 113.03 25.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.8 t -63.58 142.52 58.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 36.5 m -130.25 119.75 23.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.267 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.449 ' HE1' ' CG2' ' A' ' 16' ' ' THR . 0.6 OUTLIER -83.53 115.28 22.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.4 mp -100.95 144.16 30.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.5 m -144.13 125.06 14.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.19 -163.25 28.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.557 1.161 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.6 p -57.6 162.58 4.64 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 110.436 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -41.19 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.11 -29.94 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.2 m -76.58 -33.93 58.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.46 -44.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -64.79 -54.71 26.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.8 m -47.78 -55.77 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.02 -51.53 56.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.565 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -46.23 -56.84 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -46.68 -47.86 20.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.7 mt -58.93 -43.54 91.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.17 -61.36 2.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' GLN . 24.0 t0 -47.84 -50.92 24.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -38.87 -61.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.468 ' CG2' HG12 ' A' ' 29' ' ' ILE . 34.3 mt -42.32 -53.9 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.468 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 50.3 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.2 ppp? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.484 0.183 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.4 m -119.89 130.42 54.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -121.92 174.43 6.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -129.47 105.89 8.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CD1' ' HD3' ' A' ' 75' ' ' LYS . 21.6 t80 -113.28 119.96 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.82 130.66 39.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.3 m -122.34 159.05 54.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 114.7 4.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.21 -21.62 3.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.11 62.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.447 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 95.5 mmm -134.6 -43.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 3.4 p -43.49 -48.92 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.501 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.95 -30.87 5.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -94.17 -24.55 17.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 110.982 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.4 mt -63.08 -37.96 80.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.501 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.4 mp -58.15 -62.47 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -60.72 -40.32 91.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -77.56 -46.87 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -42.02 -43.52 3.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -42.04 99.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 81' ' ' ILE . 53.0 mt -64.74 -40.38 88.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 45' ' ' GLY . 56.8 mt-30 -69.17 -35.75 76.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -78.7 -34.05 46.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.95 -46.17 72.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.53 -16.23 27.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' GLN . . . 62.73 36.72 93.7 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.83 158.11 32.57 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -89.14 141.96 28.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.6 mt -133.54 101.35 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -97.58 99.99 11.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.411 ' CG2' ' SG ' ' A' ' 62' ' ' CYS . 3.4 mt -98.61 127.45 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -136.23 138.67 42.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.13 124.36 48.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.1 t -72.53 138.84 47.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.411 ' SG ' ' CG2' ' A' ' 50' ' ' ILE . 96.7 m -130.75 106.96 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 108.248 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.39 119.31 19.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mp -102.05 149.99 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.4 m -144.38 129.32 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.415 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.66 -152.12 24.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.0 p -77.57 164.07 60.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.65 14.54 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.76 -30.24 45.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.4 m -82.94 -38.63 22.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.418 ' CG1' ' HE2' ' A' ' 75' ' ' LYS . 41.8 t -58.33 -44.72 88.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -66.81 -54.27 24.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.8 m -48.81 -55.68 10.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.9 -52.54 57.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.476 ' HD3' ' CD1' ' A' ' 19' ' ' TYR . 20.1 mtmt -44.76 -54.87 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -47.92 -49.96 28.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.48 -46.86 80.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.53 -68.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -40.57 -47.58 2.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -66.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.539 HG21 ' CE2' ' A' ' 28' ' ' PHE . 51.5 mt -41.72 -56.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.447 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 84.7 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.2 ppp? . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.477 0.18 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.0 m -114.71 133.99 55.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 9.2 tp10 -131.25 146.17 52.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 13.5 tt0 -110.4 98.4 7.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.458 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 41.4 t80 -101.13 124.47 46.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -92.36 139.6 30.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.5 m -135.29 158.01 75.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 114.01 3.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.38 -26.49 7.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.91 -7.68 56.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.1 mmm -123.39 -39.88 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.798 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -44.76 -47.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.158 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -50.88 -29.22 19.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.59 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -94.3 -21.18 19.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 0.0 110.992 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.454 HG12 ' CG2' ' A' ' 81' ' ' ILE . 19.0 mt -65.58 -36.47 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.476 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.6 mt -58.42 -56.09 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -77.55 -33.68 54.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.476 ' O ' ' CD1' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -81.37 -33.88 12.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 37' ' ' ILE . 9.6 t -55.0 -51.29 66.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -35.9 62.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.409 HG21 ' CB ' ' A' ' 77' ' ' LEU . 48.5 mt -68.75 -40.87 82.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.471 ' HG3' ' CD1' ' A' ' 37' ' ' ILE . 35.9 mt-30 -69.84 -36.75 75.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -78.94 -29.55 44.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.75 -53.02 37.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.491 ' OG ' ' CB ' ' A' ' 74' ' ' ALA . 6.8 p -91.39 -8.02 49.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.72 27.61 61.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.19 155.14 22.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -87.15 144.22 26.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.459 HG12 ' CD2' ' A' ' 64' ' ' LEU . 40.7 mt -136.49 105.83 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -100.74 100.13 10.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.9 mt -96.93 138.26 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.446 ' O ' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -131.88 133.32 44.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -95.01 115.77 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 t -63.19 141.65 58.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.6 m -132.31 109.45 9.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 108.296 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 mtp -77.61 116.06 17.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.459 ' CD2' HG12 ' A' ' 48' ' ' ILE . 1.4 mp -102.51 146.89 27.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.0 m -144.44 126.92 15.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.94 -170.97 27.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.3 p -49.86 162.02 0.5 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 110.411 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -36.06 2.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -23.13 61.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.5 m -80.11 -42.53 23.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.9 t -55.75 -45.48 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.446 ' NE2' ' HZ3' ' A' ' 75' ' ' LYS . 2.7 mp0 -65.47 -52.71 50.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.5 m -49.38 -55.37 13.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.491 ' CB ' ' OG ' ' A' ' 44' ' ' SER . . . -58.27 -44.68 88.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.458 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 11.7 mtmt -48.65 -51.25 29.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -52.34 -54.37 32.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.409 ' CB ' HG21 ' A' ' 40' ' ' ILE . 13.5 mt -49.92 -47.41 52.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.36 -70.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -40.83 -51.63 3.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.77 -64.35 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.454 ' CG2' HG12 ' A' ' 29' ' ' ILE . 35.1 mt -41.95 -58.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.409 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 70.9 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.4 ptm . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.46 0.171 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.2 m -124.53 138.2 54.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 6.2 tp10 -130.91 145.69 52.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 20.1 tt0 -103.98 106.83 17.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.552 ' CD1' ' HE2' ' A' ' 75' ' ' LYS . 36.2 t80 -114.94 125.96 54.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -96.22 150.31 20.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -144.15 161.2 46.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.12 5.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.81 -21.04 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.18 -2.61 83.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 28' ' ' PHE . 96.9 mmm -125.31 -45.21 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.9 p -43.7 -49.8 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.497 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.37 -31.7 4.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -94.25 -22.93 18.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.992 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.436 HG12 ' CG2' ' A' ' 81' ' ' ILE . 8.7 mt -64.93 -35.94 76.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.497 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.5 mp -60.77 -58.83 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -59.98 -38.84 83.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.467 ' CD1' HD23 ' A' ' 78' ' ' LEU . 5.8 tp -78.56 -45.41 25.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.2 t -44.44 -44.0 8.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -36.31 80.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.453 HG23 ' CD1' ' A' ' 77' ' ' LEU . 32.5 mt -73.16 -36.36 49.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -70.46 -35.38 73.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -83.28 -28.87 28.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.43 -45.28 60.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.405 ' HB2' ' CB ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -99.03 2.51 46.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 45.0 32.83 3.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.504 ' CB ' ' HB2' ' A' ' 70' ' ' SER . 2.8 t -114.03 156.41 24.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -90.94 138.81 31.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.1 mt -133.21 112.62 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -113.34 99.98 8.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.456 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 2.9 mt -95.74 135.62 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.84 136.18 49.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.456 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 0.4 OUTLIER -92.32 117.65 30.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.1 t -66.14 140.31 58.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.6 m -127.91 106.14 8.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 108.265 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 96.8 mmm -78.75 115.79 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mp -96.9 150.31 20.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.8 m -137.2 121.24 17.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.384 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.72 -147.56 17.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.415 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 1.0 OUTLIER -88.2 175.54 4.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 110.409 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.56 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 70' ' ' SER . 4.3 pt-20 -62.46 -35.74 80.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.504 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 19.5 p -75.52 -45.81 35.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 67' ' ' THR . 73.1 t -59.13 -45.53 92.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -60.75 -57.9 10.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.405 ' CB ' ' HB2' ' A' ' 44' ' ' SER . 72.6 m -48.24 -58.16 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.48 -53.38 18.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.552 ' HE2' ' CD1' ' A' ' 19' ' ' TYR . 1.2 mtpm? -45.14 -57.69 3.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' O ' ' CD ' ' A' ' 80' ' ' GLN . 18.1 mmt180 -45.68 -46.36 14.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.453 ' CD1' HG23 ' A' ' 40' ' ' ILE . 73.5 mt -62.22 -51.6 67.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 37' ' ' ILE . 85.1 mt -56.64 -46.89 80.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 80' ' ' GLN . 6.0 t0 -61.25 -53.0 62.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -38.34 -45.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.436 ' CG2' HG12 ' A' ' 29' ' ' ILE . 57.5 mt -57.16 -53.15 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.417 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 47.0 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ptm . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.498 0.19 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.5 m -117.99 145.51 44.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -134.9 164.55 27.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -118.37 112.75 20.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.511 ' CD1' ' HE2' ' A' ' 75' ' ' LYS . 25.4 t80 -123.84 122.36 37.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -95.07 140.79 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' ARG . 3.1 m -130.37 160.25 66.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HG3' ' CG1' ' A' ' 82' ' ' VAL . 18.3 Cg_endo -74.98 122.26 7.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.438 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 1.5 t0 -57.22 -18.15 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.03 7.95 68.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.2 mmm -135.65 -44.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.438 ' CG1' ' HA ' ' A' ' 23' ' ' ASP . 14.6 p -42.28 -53.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.404 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -46.37 -34.93 6.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.589 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -87.59 -26.32 23.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 111.009 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.479 ' CG2' ' CD1' ' A' ' 37' ' ' ILE . 3.3 mt -63.27 -28.34 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 21.0 mt -60.84 -62.22 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -56.18 -44.61 79.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.479 ' CD1' ' CG2' ' A' ' 29' ' ' ILE . 2.8 tp -69.47 -49.2 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 t -45.24 -46.57 12.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.74 -33.27 60.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.439 HG21 ' CB ' ' A' ' 77' ' ' LEU . 22.7 mt -76.73 -35.09 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -71.27 -35.1 71.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -82.45 -28.49 31.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.46 -46.21 55.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.485 ' OG ' ' CB ' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -95.6 -3.52 46.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 50.01 36.88 28.46 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.37 157.38 31.96 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.15 141.88 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.5 mt -134.42 102.56 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -101.68 101.64 12.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.1 mt -98.8 124.81 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.516 ' CB ' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -124.86 138.61 54.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.516 ' NH1' ' CB ' ' A' ' 51' ' ' ALA . 3.0 tpm_? -91.94 128.14 37.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.416 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 12.6 t -78.44 141.02 38.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.9 m -132.31 108.72 9.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.258 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -77.67 114.55 16.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mp -98.34 147.88 24.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 91.6 m -144.16 134.58 24.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.339 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.48 -163.66 25.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.6 p -57.4 161.38 5.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -38.6 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.59 -16.0 63.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.2 m -90.84 -39.43 12.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.039 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 85.5 t -57.68 -42.08 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -54.61 10.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.4 m -46.83 -50.92 17.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.485 ' CB ' ' OG ' ' A' ' 44' ' ' SER . . . -59.43 -49.41 77.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.511 ' HE2' ' CD1' ' A' ' 19' ' ' TYR . 4.1 mtpm? -48.38 -52.12 23.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.03 -45.05 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.439 ' CB ' HG21 ' A' ' 40' ' ' ILE . 14.6 mt -62.62 -45.03 94.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.35 -66.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -44.74 -44.44 9.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -45.8 -65.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 46.2 mt -42.07 -50.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.423 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 73.0 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ptm . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.464 0.173 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.5 m -116.08 135.64 53.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.452 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.0 tp10 -125.83 147.04 49.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 15.3 tt0 -108.97 100.88 10.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.492 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 28.0 t80 -109.02 125.06 51.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -98.24 134.39 41.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' ARG . 11.9 m -124.67 159.26 59.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.469 ' CD ' HG21 ' A' ' 82' ' ' VAL . 18.3 Cg_endo -74.99 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.416 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 11.4 t70 -53.59 -21.06 5.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.76 -2.17 85.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 97.6 mmm -127.08 -39.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.488 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 9.8 p -42.5 -52.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.21 -33.66 5.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -90.97 -22.75 20.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.419 ' CG2' HD13 ' A' ' 37' ' ' ILE . 5.1 mt -63.83 -47.34 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 26' ' ' VAL . 1.7 mp -47.96 -61.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.57 -44.29 85.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.419 HD13 ' CG2' ' A' ' 29' ' ' ILE . 3.8 tp -74.58 -40.77 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.82 -50.84 24.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.95 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -33.05 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.411 HG21 ' CB ' ' A' ' 77' ' ' LEU . 37.1 mt -75.52 -38.08 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -69.69 -34.3 73.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -84.15 -35.54 23.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.22 -55.25 37.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.2 p -87.37 -19.95 27.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.19 22.3 79.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.563 1.164 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.64 158.43 16.71 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.85 143.67 26.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.9 mt -134.75 102.96 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.71 100.71 11.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.4 mt -96.28 123.22 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.523 ' CB ' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -110.06 140.26 44.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.523 ' CZ ' ' CB ' ' A' ' 51' ' ' ALA . 4.0 tpm_? -87.8 124.83 34.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.6 t -73.17 128.76 36.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.8 m -122.79 109.3 14.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 108.283 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.37 114.64 16.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.2 mp -98.39 146.12 26.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 m -144.41 134.48 24.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.05 -166.14 25.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p -55.55 161.3 3.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.527 0.781 . . . . 0.0 110.405 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -31.98 5.78 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.94 -22.16 56.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.6 m -84.55 -34.38 23.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.0 t -61.99 -42.46 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -69.18 -56.51 7.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.9 m -47.23 -54.06 11.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.13 -51.52 66.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.492 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 2.7 mtpm? -45.98 -53.36 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -49.99 -49.51 50.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.411 ' CB ' HG21 ' A' ' 40' ' ' ILE . 42.2 mt -57.95 -40.23 80.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.93 -68.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -41.96 -49.86 4.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.36 -60.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.553 HG21 ' CE2' ' A' ' 28' ' ' PHE . 53.8 mt -42.71 -61.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.469 HG21 ' CD ' ' A' ' 22' ' ' PRO . 54.9 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ptm . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.507 0.194 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.5 m -116.87 143.23 45.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.4 tp10 -136.14 145.28 45.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 6.7 tt0 -109.36 108.18 18.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 21.4 t80 -111.33 121.56 45.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.45 132.13 38.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.14 160.42 61.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.444 ' CD ' HG21 ' A' ' 82' ' ' VAL . 18.4 Cg_endo -74.92 119.71 5.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -53.19 -24.44 10.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.13 -3.19 68.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.447 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 97.0 mmm -124.57 -40.27 2.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.491 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 4.4 p -43.99 -50.79 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.483 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -48.71 -30.35 8.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.464 1.102 . . . . 0.0 110.976 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.573 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.1 t80 -94.29 -20.78 19.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 0.769 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.1 mt -65.58 -40.61 88.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -57.36 -62.42 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.74 -33.45 66.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.0 tp -82.52 -33.35 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.1 t -51.96 -57.48 9.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.69 -33.12 21.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.406 HG22 ' CB ' ' A' ' 77' ' ' LEU . 36.3 mt -74.77 -38.64 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -69.37 -34.29 74.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -82.19 -36.65 27.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.16 -55.6 32.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.8 p -87.28 -17.93 31.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.59 27.01 74.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -109.36 158.38 17.97 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -90.79 141.8 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.5 mt -132.86 106.15 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.19 102.74 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.2 137.69 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.485 ' CB ' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.94 134.74 37.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.485 ' NH1' ' CB ' ' A' ' 51' ' ' ALA . 3.0 tpm_? -88.61 123.8 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.433 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 11.8 t -72.72 138.08 46.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 59.8 m -129.31 115.32 17.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 108.292 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.6 mtp -83.22 116.43 22.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -97.86 148.78 23.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.8 m -144.26 128.47 17.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.375 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.27 -166.36 26.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.432 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 8.4 p -57.37 162.62 4.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 110.415 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -35.53 3.05 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -70.48 -24.06 62.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 m -85.13 -33.69 22.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.042 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 67' ' ' THR . 80.3 t -61.91 -48.81 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -63.97 -52.54 59.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.73 -56.38 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.86 -50.66 68.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.56 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 4.5 mtpt -47.01 -53.49 12.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -49.38 -47.25 47.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.406 ' CB ' HG22 ' A' ' 40' ' ' ILE . 18.7 mt -62.57 -47.35 84.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.87 -67.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -40.91 -46.78 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.19 -58.3 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 75.8 mt -41.19 -62.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.447 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 61.5 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ptm . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.479 0.181 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.1 m -110.28 150.39 28.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.6 tp10 -141.44 146.05 36.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 5.6 tt0 -110.36 107.71 17.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.538 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 20.3 t80 -115.37 125.47 53.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.35 134.25 42.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' ARG . 4.9 m -125.56 159.42 60.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.461 ' CD ' HG21 ' A' ' 82' ' ' VAL . 18.2 Cg_endo -75.03 118.94 5.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.2 -22.91 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.06 -2.69 79.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.5 mmm -125.9 -40.38 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.502 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 6.3 p -43.38 -51.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.477 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -47.93 -31.09 7.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.1 t80 -93.44 -20.76 20.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.439 HG12 ' CG2' ' A' ' 81' ' ' ILE . 7.9 mt -65.72 -41.94 91.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 26' ' ' VAL . 1.9 mp -53.5 -57.18 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -75.28 -34.15 61.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' ILE . 2.4 tp -76.62 -46.17 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -44.2 -56.97 3.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -48.21 -31.95 6.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 110.245 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.452 ' CD1' HD11 ' A' ' 81' ' ' ILE . 33.3 mt -77.36 -38.63 27.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -68.58 -32.88 73.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -84.69 -38.78 19.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.01 -57.07 13.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.0 p -86.18 -19.9 29.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.94 25.1 75.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.74 157.63 17.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -88.01 142.53 27.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.8 mt -134.26 104.14 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -103.98 100.15 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.7 mt -94.11 126.7 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.558 ' CB ' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -129.73 135.41 48.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.558 ' CZ ' ' CB ' ' A' ' 51' ' ' ALA . 4.2 tpm_? -87.9 124.78 34.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -74.94 135.82 41.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 75.0 m -130.67 104.4 7.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.2 mmm -76.88 118.36 19.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.401 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.6 mp -99.77 150.53 22.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.6 m -144.51 126.92 15.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.6 -165.26 28.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.4 ' OG1' ' OG ' ' A' ' 70' ' ' SER . 38.7 p -57.14 161.82 4.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.24 3.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.802 . . . . 0.0 111.047 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.75 -19.81 61.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 110.241 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.4 ' OG ' ' OG1' ' A' ' 67' ' ' THR . 62.9 m -87.6 -35.23 18.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.62 -46.76 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -66.49 -52.64 43.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.13 -48.57 23.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.93 -48.24 79.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.538 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 5.1 mtpm? -51.18 -49.44 60.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -53.23 -34.92 59.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.412 ' CB ' HG22 ' A' ' 40' ' ' ILE . 13.6 mt -75.43 -40.64 57.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.75 -62.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.23 -46.22 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -60.25 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.464 HG22 ' CE2' ' A' ' 28' ' ' PHE . 73.2 mt -41.16 -57.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.461 HG21 ' CD ' ' A' ' 22' ' ' PRO . 74.8 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 ptm . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.522 0.201 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.3 m -120.01 124.49 46.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -118.83 160.49 21.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -121.07 103.86 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.464 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 35.8 t80 -111.78 129.52 56.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -100.27 145.71 27.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' ARG . 3.1 m -136.0 160.31 67.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.408 ' HG2' ' CG ' ' A' ' 25' ' ' MET . 18.3 Cg_endo -74.98 118.63 5.34 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.45 -22.36 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.83 6.37 62.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 98.7 mmm -133.61 -43.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 9.5 p -43.27 -52.3 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.489 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.05 -30.89 4.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -94.29 -21.31 19.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.993 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.469 HG12 ' CG2' ' A' ' 81' ' ' ILE . 10.5 mt -65.94 -33.31 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.489 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.3 mp -64.42 -62.0 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.444 1.09 . . . . 0.0 110.963 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -72.16 -39.73 68.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 tp -77.67 -39.38 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 t -47.21 -53.89 12.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -35.31 59.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.42 HG23 ' CB ' ' A' ' 77' ' ' LEU . 32.2 mt -73.59 -38.05 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -69.9 -33.7 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.349 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -84.62 -37.1 21.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.65 -57.04 13.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.8 p -87.26 -19.27 28.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.043 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.73 21.78 79.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -103.19 158.41 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -91.41 140.5 29.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.4 mt -131.22 108.8 15.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -108.42 102.58 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.3 mt -98.73 136.45 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.498 ' CB ' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 110.986 -0.428 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -130.88 138.5 49.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.498 ' NH1' ' CB ' ' A' ' 51' ' ' ALA . 3.1 tpm_? -88.28 126.41 35.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 t -78.71 134.05 37.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.965 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 55.6 m -129.35 114.35 16.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.31 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 93.9 mmm -85.08 118.63 24.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.91 148.94 21.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 m -144.45 119.08 9.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.453 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.1 -162.5 30.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.9 p -60.28 163.15 8.94 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.538 0.787 . . . . 0.0 110.394 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -36.08 2.79 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.53 1.805 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -74.0 -16.1 61.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.0 m -89.26 -34.08 16.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.2 t -63.43 -44.53 98.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -65.8 -55.99 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.29 -50.95 11.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -58.36 -55.94 28.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 4.7 mtpp -43.55 -47.84 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -54.77 -40.5 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' ALA . 31.6 mt -70.08 -53.15 18.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 90.9 mt -52.48 -63.9 0.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' GLN . 59.1 t0 -43.82 -52.18 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER -38.79 -58.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.469 ' CG2' HG12 ' A' ' 29' ' ' ILE . 43.0 mt -43.42 -59.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.457 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 99.0 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.9 ptm . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.513 0.197 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.3 m -123.24 139.83 53.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.8 tp10 -130.04 146.48 51.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 16.1 tt0 -105.64 101.94 11.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 12.1 t80 -108.93 123.85 49.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -98.19 135.98 39.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' ARG . 1.7 m -128.51 161.16 58.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.443 ' CD ' HG21 ' A' ' 82' ' ' VAL . 18.3 Cg_endo -75.05 117.45 4.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.55 -30.81 21.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.21 -9.75 55.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.4 mmm -121.74 -37.69 2.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.502 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 1.8 p -44.16 -49.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -50.09 -29.92 15.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.5 t80 -94.27 -21.45 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.462 HG12 ' CG2' ' A' ' 81' ' ' ILE . 6.6 mt -64.57 -43.1 96.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -53.69 -66.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.161 . . . . 0.0 111.03 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -69.14 -37.43 78.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.2 tp -80.75 -37.12 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.11 -52.89 31.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -53.84 -33.94 57.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.459 ' CD1' HD13 ' A' ' 81' ' ' ILE . 31.9 mt -74.35 -38.81 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -70.29 -32.49 70.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -87.1 -31.4 20.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 3.2 mm-40 -62.49 -54.0 46.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.4 p -89.75 -16.38 30.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.76 20.1 77.21 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.34 158.1 16.57 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.62 144.75 25.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.7 mt -135.26 106.83 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -104.08 107.6 18.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.2 mt -105.2 136.34 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.497 ' CB ' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -121.56 140.25 52.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.497 ' NH1' ' CB ' ' A' ' 51' ' ' ALA . 3.1 tpm_? -87.53 129.9 34.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 t -78.54 127.6 32.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.6 m -125.12 115.47 20.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 108.294 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 93.6 mmm -88.56 116.04 26.51 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.416 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.8 mp -95.22 152.06 18.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 90.8 m -143.72 124.23 13.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.363 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 147.02 -166.07 28.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.8 p -56.55 161.31 4.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -34.01 4.11 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.51 -23.7 60.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.5 m -80.86 -38.39 28.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.4 t -61.23 -47.65 92.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -61.2 2.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 m -44.87 -54.72 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.13 -53.95 42.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -44.06 -54.08 5.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -50.25 -43.86 53.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.25 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.401 ' CB ' HG21 ' A' ' 40' ' ' ILE . 51.6 mt -63.26 -38.61 91.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.84 -66.31 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -41.63 -34.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -59.31 5.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.506 HG22 ' CE2' ' A' ' 28' ' ' PHE . 86.6 mt -40.32 -54.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.443 HG21 ' CD ' ' A' ' 22' ' ' PRO . 42.2 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.437 ' HE2' ' CG2' ' A' ' 71' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.525 0.202 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -119.2 133.49 55.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 24.8 tp10 -125.48 145.93 49.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 15.7 tt0 -101.57 100.69 11.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.231 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.413 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 23.5 t80 -108.22 121.88 45.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.34 142.99 27.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' ARG . 8.8 m -134.66 159.2 73.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.459 ' CD ' HG23 ' A' ' 82' ' ' VAL . 18.6 Cg_endo -74.93 118.34 5.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.047 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.405 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 7.6 t0 -52.63 -25.45 10.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.27 -3.44 65.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' PHE . 91.2 mmm -125.74 -39.97 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 6.1 p -43.04 -50.93 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.466 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -49.89 -33.08 19.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.6 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -90.48 -22.59 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mt -63.71 -42.07 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.2 mt -56.92 -72.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -73.45 -36.84 65.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.253 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 tp -80.61 -36.0 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.9 t -52.81 -53.73 44.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -52.07 -31.26 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.5 mt -76.87 -38.74 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -68.6 -35.06 76.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -82.98 -37.16 24.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -57.22 -55.23 37.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.3 p -87.89 -19.31 27.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.09 26.41 73.85 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.54 157.26 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.35 144.78 25.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -135.36 105.88 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -104.22 108.43 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.098 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.448 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 4.0 mt -104.51 126.97 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.5 ' CB ' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.973 -0.433 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -112.58 140.78 47.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.5 ' NH1' ' CB ' ' A' ' 51' ' ' ALA . 3.0 tpm_? -88.96 126.01 35.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.252 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -73.61 136.77 43.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.9 m -130.7 118.46 20.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.4 mtp -86.52 118.96 26.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.4 mp -101.67 147.47 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.7 m -144.5 128.45 17.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.93 -168.75 26.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 p -51.34 162.18 0.69 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.78 2.93 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.788 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.54 -28.62 62.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.2 m -72.99 -42.26 63.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.437 ' CG2' ' HE2' ' A' ' 15' ' ' MET . 65.6 t -56.57 -52.1 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 33.4 mt-30 -58.62 -48.6 80.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.56 -50.85 64.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.3 -44.26 92.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.414 ' CE ' ' HA ' ' A' ' 72' ' ' GLN . 29.0 mtmt -49.56 -43.42 45.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -64.7 -53.23 50.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.9 mt -53.01 -31.64 42.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.78 -67.78 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -42.32 -40.45 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -60.98 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.436 HG23 ' CE2' ' A' ' 28' ' ' PHE . 32.5 mt -40.36 -58.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.459 HG23 ' CD ' ' A' ' 22' ' ' PRO . 86.0 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.6 ppp? . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.497 0.189 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.2 m -121.68 132.07 54.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.426 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -130.91 147.59 52.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -105.56 99.69 9.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.533 ' CD1' ' HE2' ' A' ' 75' ' ' LYS . 35.8 t80 -105.71 116.7 32.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -92.36 141.14 28.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.85 162.75 55.59 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.25 4.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -53.24 -28.56 27.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.05 -6.39 52.63 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.2 mmm -121.81 -40.32 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 0.72 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.7 p -43.79 -48.43 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.5 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.61 -30.95 4.88 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.469 1.105 . . . . 0.0 111.037 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.564 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -94.38 -24.11 17.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.443 HG12 ' CG2' ' A' ' 81' ' ' ILE . 38.6 mt -64.14 -33.51 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.5 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.8 mt -61.04 -60.37 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -73.66 -34.83 65.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' ILE . 3.1 tp -77.01 -48.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -44.07 -50.08 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.06 -33.77 53.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' ILE . 22.0 mt -76.6 -37.74 29.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -69.76 -31.57 69.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -85.68 -34.11 21.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.2 -51.49 66.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.9 p -89.91 -16.87 29.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.02 25.56 73.31 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.05 157.74 17.59 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -89.53 142.95 27.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.5 mt -135.39 102.12 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -96.81 100.12 11.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.6 mt -100.6 120.78 50.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.502 ' CB ' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -109.37 142.49 40.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CZ ' ' CB ' ' A' ' 51' ' ' ALA . 4.0 tpm_? -90.45 124.66 35.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.7 t -72.92 128.25 34.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.8 m -125.73 109.51 12.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 108.277 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 89.5 mmm -81.13 123.07 28.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.7 mp -103.37 146.35 28.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.3 m -144.29 125.84 14.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.7 -151.38 23.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.135 . . . . 0.0 111.036 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.2 p -75.16 163.4 68.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 110.407 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.98 7.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.11 -18.97 60.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.4 m -91.71 -36.21 13.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.015 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.04 -39.3 81.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.45 -58.54 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 m -47.53 -51.43 20.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.01 -52.85 64.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.533 ' HE2' ' CD1' ' A' ' 19' ' ' TYR . 6.0 mtpm? -45.29 -48.08 13.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -55.02 -52.78 62.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.4 mt -54.0 -31.55 51.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.7 mt -74.87 -66.18 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -44.84 -49.24 10.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -41.77 -56.28 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.443 ' CG2' HG12 ' A' ' 29' ' ' ILE . 19.4 mt -47.61 -49.02 10.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.586 1.179 . . . . 0.0 109.32 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.7 ptm . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.501 0.191 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -116.73 143.56 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.425 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 9.4 tp10 -136.14 145.98 46.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 11.3 tt0 -107.77 98.11 7.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 36.6 t80 -101.47 129.47 47.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -103.29 148.78 25.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.88 160.89 58.95 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.462 ' HG2' ' CG ' ' A' ' 25' ' ' MET . 18.3 Cg_endo -75.04 121.45 6.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.773 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.455 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 1.0 OUTLIER -52.86 -24.92 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.9 0.51 65.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 88.7 mmm -127.58 -40.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.49 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 10.9 p -43.23 -52.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.479 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.42 -30.94 4.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.547 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.3 t80 -94.26 -21.57 18.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.465 HG12 ' CG2' ' A' ' 81' ' ' ILE . 5.2 mt -64.99 -42.49 94.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -55.08 -64.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 111.02 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -73.84 -34.9 64.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' ILE . 10.7 tp -77.01 -47.76 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 t -42.47 -53.35 4.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.011 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.41 -35.74 40.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' ILE . 32.7 mt -72.92 -37.88 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -69.93 -34.62 73.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -84.64 -25.28 28.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -76.06 -43.47 43.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.498 ' OG ' ' CB ' ' A' ' 74' ' ' ALA . 0.5 OUTLIER -98.99 -2.42 37.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.046 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.43 35.6 21.74 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -121.66 156.01 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -86.64 143.97 27.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.414 HG12 ' CD2' ' A' ' 64' ' ' LEU . 24.9 mt -136.13 103.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.59 100.18 10.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.9 mt -95.61 131.05 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.484 ' CB ' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.56 139.33 46.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.484 ' CZ ' ' CB ' ' A' ' 51' ' ' ALA . 7.0 tpm_? -85.41 111.88 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.238 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.3 t -65.21 132.42 49.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 62.3 m -129.8 118.42 21.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.8 mtp -90.64 122.1 33.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.414 ' CD2' HG12 ' A' ' 48' ' ' ILE . 1.6 mp -103.11 152.55 21.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.5 m -144.25 125.52 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.441 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.95 -162.0 28.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.0 p -63.33 162.14 27.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.428 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.85 4.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.24 -25.41 63.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 m -84.3 -37.32 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.993 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.71 -48.44 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.51 -50.97 69.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.1 m -51.18 -45.95 61.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.498 ' CB ' ' OG ' ' A' ' 44' ' ' SER . . . -66.94 -40.42 87.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.56 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 28.4 mtmt -54.86 -43.66 73.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.59 -37.99 76.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.1 -41.15 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.3 mt -70.11 -40.34 74.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -67.9 -46.1 72.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -55.15 11.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.465 ' CG2' HG12 ' A' ' 29' ' ' ILE . 70.3 mt -41.21 -57.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.467 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 75.8 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 ptm . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.471 0.176 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.5 m -111.99 141.6 45.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 6.0 tp10 -134.52 145.52 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 11.9 tt0 -107.89 98.73 8.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.543 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 12.1 t80 -103.92 129.55 51.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -101.84 140.93 35.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.25 160.05 69.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.436 ' CD ' HG23 ' A' ' 82' ' ' VAL . 18.4 Cg_endo -74.97 117.71 5.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -53.78 -23.87 13.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.61 -9.78 78.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.4 mmm -119.58 -35.74 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.497 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 2.6 p -44.82 -49.66 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -50.11 -29.71 15.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.6 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -94.13 -23.86 17.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 111.002 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.1 mt -62.28 -43.51 98.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 26' ' ' VAL . 1.2 mp -53.17 -58.57 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -60.59 -40.33 91.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.27 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -77.73 -38.8 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 t -51.47 -46.39 63.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -31.54 67.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.444 HG21 ' CD1' ' A' ' 77' ' ' LEU . 16.3 mt -79.74 -36.67 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.48 -31.63 70.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -86.72 -37.38 17.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -58.33 -55.28 37.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.3 p -86.62 -17.47 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.34 30.09 76.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -111.59 158.38 19.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -89.19 141.25 28.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mt -133.68 102.66 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -103.12 99.96 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 7.3 mt -95.21 125.42 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.496 ' CB ' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -111.15 144.03 40.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.496 ' CZ ' ' CB ' ' A' ' 51' ' ' ALA . 4.4 tpm_? -91.55 119.77 31.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.8 t -70.59 129.43 39.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 61.6 m -123.55 112.45 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 108.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.38 115.24 20.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.9 mp -98.88 146.84 25.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.7 m -142.28 124.72 15.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.92 -162.24 28.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.426 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 21.7 p -65.07 163.19 32.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.382 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.73 2.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -24.25 65.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.1 m -88.88 -29.79 19.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 67' ' ' THR . 60.2 t -66.22 -45.2 90.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -67.47 -51.48 50.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.44 -51.46 46.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.63 -52.4 65.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.543 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 6.9 mtpm? -47.77 -51.75 21.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.233 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -50.22 -44.85 53.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' A' ' 40' ' ' ILE . 10.6 mt -61.53 -55.85 26.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.2 mt -49.13 -63.16 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -45.51 -53.83 8.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.47 -59.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.573 HG21 ' CE2' ' A' ' 28' ' ' PHE . 97.6 mt -44.15 -62.07 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.436 HG23 ' CD ' ' A' ' 22' ' ' PRO . 79.5 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 ppp? . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.476 0.179 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 m -125.99 122.35 35.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.473 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -122.86 162.09 22.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -121.88 97.9 5.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.529 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 37.6 t80 -102.45 129.29 48.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -102.35 139.89 37.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.36 160.46 67.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.95 5.45 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.462 1.769 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.426 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -53.06 -23.4 7.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.18 -4.13 77.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 99.0 mmm -124.29 -39.46 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.491 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 9.8 p -43.34 -51.04 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.473 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.14 -31.62 4.55 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.542 1.152 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.58 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -93.33 -21.44 19.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 0.742 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' VAL . 17.4 mt -64.71 -42.12 94.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -56.93 -62.76 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -59.94 -40.6 89.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' ILE . 6.0 tp -75.98 -44.86 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 t -44.09 -46.8 8.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -35.45 74.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' ILE . 34.6 mt -74.1 -36.31 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -70.77 -34.83 72.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -83.15 -37.49 23.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -55.57 -57.05 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.4 p -86.8 -19.16 29.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.12 22.12 78.94 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.435 1.084 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -103.68 157.65 16.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -89.04 144.52 26.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.2 mt -136.53 105.59 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -102.12 100.25 10.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.0 mt -97.45 126.06 50.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.516 ' CB ' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.95 139.02 51.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.516 ' CZ ' ' CB ' ' A' ' 51' ' ' ALA . 6.2 tpm_? -85.41 115.77 23.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 t -67.67 134.06 50.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.1 m -132.28 120.95 22.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 108.325 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.1 mmm -91.92 119.35 31.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mp -98.54 146.65 25.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 67.6 m -144.42 123.88 13.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.43 -164.44 29.38 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 p -58.35 162.5 5.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.97 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.437 1.756 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -14.2 61.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -91.8 -42.06 10.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.2 t -61.03 -37.25 76.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -49.27 43.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.239 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -57.24 -49.3 76.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.968 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.9 -50.78 72.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.529 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 3.9 mtpm? -47.43 -51.81 18.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -51.04 -43.74 60.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.416 ' CB ' HG22 ' A' ' 40' ' ' ILE . 45.3 mt -64.08 -44.3 92.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.4 -61.79 2.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' GLN . 4.1 t0 -46.87 -54.95 8.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -38.6 -61.87 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.41 ' CD1' HD13 ' A' ' 40' ' ' ILE . 42.6 mt -40.53 -56.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.465 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 97.1 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.6 ppp? . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.514 0.197 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.5 m -116.13 125.57 52.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -122.72 169.36 11.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -122.34 101.01 7.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -109.93 112.95 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.87 144.71 26.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 m -136.85 159.77 68.9 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.425 ' CD ' HG23 ' A' ' 82' ' ' VAL . 18.4 Cg_endo -75.01 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -51.79 -27.19 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.82 -8.56 57.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 28' ' ' PHE . 99.1 mmm -121.47 -38.15 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.494 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 1.4 p -44.09 -49.75 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.492 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -48.48 -30.72 8.57 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.431 1.082 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -94.28 -21.8 18.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.962 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.427 HG12 ' CG2' ' A' ' 81' ' ' ILE . 5.1 mt -64.89 -41.38 92.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 26' ' ' VAL . 1.2 mp -56.52 -61.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -58.36 -37.35 75.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 40' ' ' ILE . 7.7 tp -79.68 -43.34 23.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -44.13 -46.73 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -35.95 77.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 37' ' ' ILE . 35.4 mt -73.48 -36.58 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -70.55 -35.17 72.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -83.7 -37.38 22.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -55.55 -56.55 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.3 p -87.45 -19.11 28.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.67 26.25 73.37 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -109.7 155.38 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -87.36 144.84 26.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.5 mt -135.97 105.55 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -104.11 99.89 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 6.3 mt -97.05 127.88 48.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.544 ' CB ' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -140.57 133.96 29.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.244 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.544 ' CZ ' ' CB ' ' A' ' 51' ' ' ALA . 1.6 tpt180 -86.65 127.84 34.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.449 ' O ' ' NE ' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -79.13 112.29 16.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.411 ' SG ' ' CG2' ' A' ' 50' ' ' ILE . 62.4 m -109.26 123.56 49.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 108.289 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.5 mtp -93.93 127.38 39.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mp -107.22 149.53 27.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 49.7 m -144.49 125.49 14.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.412 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.79 -161.71 28.74 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.418 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 43.3 p -61.15 161.86 15.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.74 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.93 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -17.76 64.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.9 m -89.05 -38.7 14.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 67' ' ' THR . 58.4 t -58.87 -45.44 91.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -67.48 -49.06 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -50.92 62.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.09 98.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -52.28 -50.77 61.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -53.36 -43.54 67.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.421 ' CB ' HG23 ' A' ' 40' ' ' ILE . 17.7 mt -63.36 -51.62 65.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 88.1 mt -53.5 -68.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.75 -46.86 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.66 -61.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.427 ' CG2' HG12 ' A' ' 29' ' ' ILE . 57.1 mt -41.45 -58.73 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.427 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 52.9 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.4 ptm . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.525 0.203 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.5 m -119.16 132.56 55.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 8.8 tp10 -129.6 146.48 51.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 13.9 tt0 -105.96 99.08 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.457 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 22.6 t80 -104.07 119.89 39.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -94.78 130.04 41.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.25 163.12 33.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.32 3.53 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.767 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.91 -32.48 20.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.63 -10.63 45.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.8 mmm -120.0 -38.66 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.753 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -43.31 -49.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -48.5 -32.89 10.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CE2' HG22 ' A' ' 81' ' ' ILE . 1.4 t80 -91.27 -21.55 21.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.8 mt -67.29 -31.24 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.483 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 2.8 mt -62.31 -59.41 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -66.31 -32.17 73.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' ILE . 7.6 tp -83.68 -44.99 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.36 -50.1 6.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.89 -35.22 68.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.46 HG22 ' CB ' ' A' ' 77' ' ' LEU . 51.1 mt -72.99 -38.97 57.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -70.28 -32.73 70.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -84.61 -33.71 23.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.75 -54.5 44.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.249 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.0 p -89.3 -16.53 30.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.09 20.66 78.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.37 156.2 18.76 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.19 145.37 25.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.9 mt -135.56 105.15 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -101.54 101.21 11.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.5 mt -99.84 124.28 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.504 ' CB ' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.853 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -138.33 127.83 24.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.504 ' CZ ' ' CB ' ' A' ' 51' ' ' ALA . 1.6 tpt180 -85.28 134.61 34.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.448 ' O ' ' NE ' ' A' ' 60' ' ' ARG . 3.0 t -77.09 128.48 34.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 58.5 m -122.7 107.26 11.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 97.6 mmm -78.99 116.61 19.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mp -96.37 151.97 19.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 62.5 m -144.35 128.92 18.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.66 -168.72 25.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.6 p -54.31 161.9 1.81 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.766 . . . . 0.0 110.402 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -37.03 2.21 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -21.52 62.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 m -83.36 -39.93 20.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 75' ' ' LYS . 12.3 t -60.41 -42.97 92.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.41 -53.04 48.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.1 m -53.29 -50.17 65.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.968 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.34 83.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.457 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 13.9 mtpt -49.52 -56.11 11.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -47.21 -47.64 24.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.46 ' CB ' HG22 ' A' ' 40' ' ' ILE . 35.9 mt -57.21 -41.78 80.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' A' ' 80' ' ' GLN . 66.1 mt -64.75 -68.36 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -43.08 -29.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -62.41 -66.07 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.569 HG22 ' CE2' ' A' ' 28' ' ' PHE . 75.1 mt -42.19 -47.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.4 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ptm . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.538 0.209 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.2 m -111.82 154.03 25.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 18' ' ' GLU . 8.7 tt0 -151.22 138.37 19.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 29.0 tt0 -97.67 97.75 9.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 67.2 t80 -99.74 122.55 42.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -89.61 155.05 19.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -153.59 162.57 26.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.82 5.05 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.76 -18.94 24.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.51 -6.61 86.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.466 ' O ' ' N ' ' A' ' 28' ' ' PHE . 95.4 mmm -123.64 -41.68 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 0.751 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 2.2 p -42.32 -50.17 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -49.09 -34.53 16.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.584 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -87.01 -25.11 24.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 111.0 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.429 HG12 ' CG2' ' A' ' 81' ' ' ILE . 3.8 mt -66.09 -25.97 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.83 -60.36 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.412 1.07 . . . . 0.0 111.012 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -48.67 -46.16 39.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' ILE . 10.0 tp -69.46 -48.15 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.5 t -43.59 -50.24 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.003 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -35.53 61.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' ILE . 38.8 mt -72.78 -36.41 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.424 ' HG2' ' CD1' ' A' ' 48' ' ' ILE . 72.1 mt-30 -70.68 -37.14 73.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -80.76 -29.59 36.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -70.08 -48.65 56.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.44 ' OG ' ' CB ' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -92.55 -6.26 50.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.016 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.2 34.75 59.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.51 154.03 37.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -82.9 144.24 30.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.424 ' CD1' ' HG2' ' A' ' 41' ' ' GLN . 46.4 mt -137.18 102.89 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -103.43 100.13 9.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.4 mt -99.35 135.28 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.364 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.505 ' CB ' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -120.53 137.82 54.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.505 ' NH1' ' CB ' ' A' ' 51' ' ' ALA . 3.0 tpm_? -86.05 135.08 33.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 32.2 t -89.55 127.76 35.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.7 m -123.78 106.77 10.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.5 mtp -75.13 114.41 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -98.4 146.1 26.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.3 m -144.46 125.48 14.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.72 -162.09 29.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.5 p -57.8 161.99 5.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.411 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.89 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -25.29 64.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.4 m -80.89 -35.1 32.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.88 -39.28 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -49.74 18.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.9 m -50.38 -52.39 37.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.042 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.44 ' CB ' ' OG ' ' A' ' 44' ' ' SER . . . -58.27 -49.52 76.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.567 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 1.7 mtpm? -48.04 -51.17 25.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 mmm-85 -51.57 -37.53 50.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.2 mt -70.72 -47.71 58.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 94.7 mt -58.25 -65.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -45.5 -48.76 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.59 -60.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.429 ' CG2' HG12 ' A' ' 29' ' ' ILE . 27.2 mt -46.57 -47.66 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.4 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -140.52 170.99 14.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.34 143.78 22.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.93 -178.05 30.01 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.2 -62.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.021 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.11 171.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.943 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.47 -123.84 2.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 71.75 73.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -163.35 128.45 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -168.69 168.72 10.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -148.09 166.53 27.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -178.28 142.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.54 131.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 15' ' ' MET . 83.8 t -122.88 144.87 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.418 ' N ' HG13 ' A' ' 14' ' ' VAL . 3.8 ptm -128.48 158.74 37.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.3 m -111.58 135.57 51.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -128.55 146.77 50.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -108.93 109.28 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -116.68 131.34 56.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.047 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -101.86 139.28 37.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 m -132.58 159.51 72.15 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.418 ' CD ' HG21 ' A' ' 82' ' ' VAL . 18.2 Cg_endo -75.05 117.84 5.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -52.16 -24.61 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.08 -0.39 60.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.3 mmm -127.57 -43.04 1.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 0.742 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.3 p -44.16 -49.76 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.482 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -49.64 -29.82 12.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.571 1.169 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -94.47 -20.55 19.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.788 . . . . 0.0 110.985 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.9 mt -65.86 -42.71 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.479 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.2 mp -54.02 -58.11 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.36 -165.55 22.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.44 89.67 7.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 0.761 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.07 1.77 59.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.52 34.46 10.33 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -90.61 -31.55 16.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.792 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -63.2 -37.56 87.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -37.19 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -42.91 69.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -32.24 71.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.466 HG22 ' CB ' ' A' ' 77' ' ' LEU . 23.1 mt -76.41 -37.85 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -70.93 -32.27 69.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -85.84 -27.04 25.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.82 -48.85 51.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.252 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.3 p -93.45 -8.75 40.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.3 27.02 62.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 158.42 18.64 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.96 144.3 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' A' ' 64' ' ' LEU . 44.0 mt -136.66 105.5 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.74 100.14 11.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.0 mt -95.14 137.2 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.84 153.01 92.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.74 3.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.757 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -138.64 106.51 5.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.39 -20.25 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.4 -96.37 2.09 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.13 23.38 1.58 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -94.56 155.0 40.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -28.7 8.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -118.05 137.84 52.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.76 119.04 33.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.8 t -67.52 143.5 56.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.9 m -132.27 113.96 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 108.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.16 114.89 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' CD2' HG12 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -99.66 145.82 27.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.8 m -144.52 129.54 18.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.36 -166.62 26.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.0 p -58.15 161.82 6.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.427 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.17 4.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -71.71 -24.24 61.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.4 m -85.21 -36.28 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.02 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 37.3 t -60.93 -45.7 97.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.17 -51.88 53.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.82 -47.64 42.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.35 -48.65 78.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -48.73 -50.68 32.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -50.94 -40.87 58.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.466 ' CB ' HG22 ' A' ' 40' ' ' ILE . 5.9 mt -65.58 -49.38 69.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.3 mt -55.83 -66.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.41 -41.68 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -58.75 5.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 67.0 mt -45.81 -51.49 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.418 HG21 ' CD ' ' A' ' 22' ' ' PRO . 58.8 t -58.17 -54.09 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.75 -51.99 61.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -61.24 -22.68 65.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -121.12 46.95 1.06 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.72 -51.23 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.77 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.9 p -179.43 150.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.971 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.07 157.0 21.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 70.57 5.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.1 108.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.005 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.65 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.053 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 p 58.21 67.56 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 0.784 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.55 106.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.24 85.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.553 1.158 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -165.92 140.66 4.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.0 p -137.52 149.0 46.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.019 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.78 82.62 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -179.84 131.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 0.785 . . . . 0.0 109.588 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.36 -58.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 64.04 117.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.47 155.64 26.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -137.16 175.62 9.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 m -79.51 174.41 11.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.014 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 15' ' ' MET . 61.5 t -82.01 145.68 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.414 ' N ' HG12 ' A' ' 14' ' ' VAL . 4.2 ptm -126.45 160.86 29.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.8 m -125.81 123.45 38.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' OE1' ' NZ ' ' A' ' 75' ' ' LYS . 2.1 tt0 -117.87 172.17 7.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -125.38 98.95 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.506 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 38.6 t80 -103.42 122.81 45.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -94.35 143.53 26.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.444 HG23 ' CG2' ' A' ' 26' ' ' VAL . 17.1 m -138.1 158.65 70.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.98 5.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -29.27 15.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.48 -6.9 51.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' PHE . 96.8 mmm -124.9 -40.19 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.497 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -44.08 -49.92 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.497 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -50.01 -30.19 15.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -94.24 -22.38 18.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.992 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 mt -64.2 -41.82 93.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 26' ' ' VAL . 1.2 mp -55.95 -60.23 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.13 -176.9 33.44 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -71.18 102.86 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 110.313 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.78 12.48 83.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.56 39.31 30.31 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -92.08 -33.09 14.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -58.7 -34.24 71.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.417 ' CD1' HD23 ' A' ' 78' ' ' LEU . 8.0 tp -84.56 -38.82 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 t -45.66 -50.8 13.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -37.32 75.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.47 HG22 ' CB ' ' A' ' 77' ' ' LEU . 37.6 mt -71.67 -38.12 65.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -69.96 -33.9 72.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -83.58 -31.0 26.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.9 -48.24 63.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.491 ' OG ' ' CB ' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -93.51 -2.12 54.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.85 36.06 25.67 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.29 150.45 43.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -86.03 144.32 27.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.467 HG12 ' CD2' ' A' ' 64' ' ' LEU . 20.3 mt -133.65 104.96 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.33 100.12 10.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.7 mt -95.03 142.89 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.415 ' O ' ' NH1' ' A' ' 60' ' ' ARG . . . -65.85 154.37 89.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -24.42 12.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -161.47 103.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.9 p -47.19 -32.72 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.65 -8.57 34.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.94 -14.98 7.92 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.9 162.53 0.24 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.781 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.98 11.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.533 1.807 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -131.27 136.49 48.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' NH1' ' O ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -93.18 115.48 28.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.8 t -62.11 132.92 54.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.078 . . . . 0.0 109.954 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 62.9 m -128.04 113.38 15.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 108.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.7 mmm -84.05 118.7 24.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 48' ' ' ILE . 1.2 mp -98.93 150.83 21.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.6 m -144.51 131.98 20.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.387 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.12 -169.18 24.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.4 p -53.62 162.36 1.32 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 110.395 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.429 ' O ' ' NE2' ' A' ' 72' ' ' GLN . 18.3 Cg_endo -74.98 -41.24 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.25 -17.87 64.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 m -87.95 -41.36 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.1 t -56.74 -46.79 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 68' ' ' PRO . 1.4 mp0 -65.95 -48.67 70.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.9 m -53.97 -48.26 70.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.491 ' CB ' ' OG ' ' A' ' 44' ' ' SER . . . -61.04 -44.5 97.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.506 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 19.6 mtmt -50.42 -53.0 32.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -46.94 -48.96 21.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.47 ' CB ' HG22 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -58.68 -50.51 73.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.417 HD23 ' CD1' ' A' ' 37' ' ' ILE . 30.8 mt -54.42 -69.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 78' ' ' LEU . 12.1 t0 -40.56 -51.17 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -61.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.508 HG23 ' CE2' ' A' ' 28' ' ' PHE . 97.1 mt -40.57 -63.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.0 t -43.4 -56.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -58.78 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.4 -31.85 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -121.59 59.02 0.57 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -117.4 -44.35 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.5 m -145.19 81.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 54.23 -167.45 1.93 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 65.14 6.1 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.4 t 41.57 78.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.9 p -174.19 121.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -170.45 -58.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.69 164.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.988 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.49 -177.68 16.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -172.99 97.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 110.054 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.08 158.98 23.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.64 -138.92 5.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.8 m170 66.85 125.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.568 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -167.11 140.5 3.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.89 -57.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 43.07 -165.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -173.34 -61.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 m -136.85 -177.93 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.952 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.441 HG13 ' CA ' ' A' ' 66' ' ' GLY . 40.9 t -125.19 151.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.8 ptm -130.87 164.01 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.449 ' CG2' ' HE1' ' A' ' 63' ' ' MET . 14.2 m -120.25 135.21 55.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -123.94 168.51 12.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -125.09 100.09 6.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 31.8 t80 -108.2 133.05 53.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -104.91 145.3 30.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 m -139.99 161.23 57.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.453 ' CD ' HG21 ' A' ' 82' ' ' VAL . 18.2 Cg_endo -75.01 116.41 4.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -52.49 -21.57 3.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.2 4.32 63.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 98.6 mmm -131.31 -45.14 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 0.721 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 8.2 p -42.23 -51.79 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.468 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -46.25 -34.98 6.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -87.93 -25.06 23.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.981 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.468 HG12 ' CG2' ' A' ' 81' ' ' ILE . 10.8 mt -63.55 -27.5 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.5 mt -61.55 -61.34 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.23 175.58 27.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -65.46 83.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.13 -19.81 34.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.18 34.2 2.59 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -25.33 17.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -62.82 -34.95 78.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.49 -36.56 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -55.27 -39.82 70.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -64.63 -34.27 77.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.4 mt -72.05 -39.62 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -71.0 -34.14 71.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -85.41 -23.88 27.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 3.2 mm-40 -72.02 -49.06 40.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.3 p -95.03 -9.56 33.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.77 26.6 67.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -109.94 157.03 19.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -86.99 142.57 27.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.9 mt -135.0 108.08 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -105.71 100.14 9.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.9 mt -95.91 140.66 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.88 153.97 90.18 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -35.86 2.94 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.3 107.38 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 p -40.19 -42.5 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.89 17.45 18.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.65 7.63 62.95 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -76.07 156.44 84.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -22.29 15.07 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.16 133.64 41.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.84 113.03 25.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.8 t -63.58 142.52 58.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 36.5 m -130.25 119.75 23.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.267 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.449 ' HE1' ' CG2' ' A' ' 16' ' ' THR . 0.6 OUTLIER -83.53 115.28 22.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.4 mp -100.95 144.16 30.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.5 m -144.13 125.06 14.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.441 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 146.19 -163.25 28.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.557 1.161 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.6 p -57.6 162.58 4.64 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 110.436 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -41.19 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.11 -29.94 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.2 m -76.58 -33.93 58.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.46 -44.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -64.79 -54.71 26.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.8 m -47.78 -55.77 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.02 -51.53 56.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.565 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -46.23 -56.84 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -46.68 -47.86 20.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.7 mt -58.93 -43.54 91.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.17 -61.36 2.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' GLN . 24.0 t0 -47.84 -50.92 24.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -38.87 -61.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.468 ' CG2' HG12 ' A' ' 29' ' ' ILE . 34.3 mt -42.32 -53.9 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.468 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 50.3 t -51.68 -55.9 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.87 -54.02 51.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.82 -29.84 42.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -118.3 52.06 0.72 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -121.3 -44.56 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.257 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.78 105.97 7.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.72 -177.97 45.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.68 3.64 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.73 -61.85 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.45 168.49 16.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.133 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.095 . . . . 0.0 110.964 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 t 62.33 122.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.77 158.07 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.39 142.66 13.35 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -100.21 100.23 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 110.027 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -158.57 150.48 21.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.7 160.13 11.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -109.25 124.29 50.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.629 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.39 -59.08 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 62.72 103.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -171.61 172.97 4.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 61.78 124.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 m -75.44 178.47 5.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.957 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.87 149.17 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -142.66 163.8 31.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.4 m -119.89 130.42 54.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -121.92 174.43 6.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -129.47 105.89 8.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CD1' ' HD3' ' A' ' 75' ' ' LYS . 21.6 t80 -113.28 119.96 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.82 130.66 39.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.3 m -122.34 159.05 54.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 114.7 4.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.21 -21.62 3.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.11 62.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.447 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 95.5 mmm -134.6 -43.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 3.4 p -43.49 -48.92 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.501 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.95 -30.87 5.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -94.17 -24.55 17.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 110.982 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.4 mt -63.08 -37.96 80.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.501 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.4 mp -58.15 -62.47 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.86 177.44 40.95 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.97 107.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.47 1.13 69.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.14 33.8 13.99 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -83.72 -31.29 26.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -60.72 -40.32 91.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -77.56 -46.87 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -42.02 -43.52 3.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -42.04 99.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 81' ' ' ILE . 53.0 mt -64.74 -40.38 88.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 45' ' ' GLY . 56.8 mt-30 -69.17 -35.75 76.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -78.7 -34.05 46.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.95 -46.17 72.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.53 -16.23 27.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' GLN . . . 62.73 36.72 93.7 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.83 158.11 32.57 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -89.14 141.96 28.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.6 mt -133.54 101.35 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -97.58 99.99 11.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.411 ' CG2' ' SG ' ' A' ' 62' ' ' CYS . 3.4 mt -98.61 127.45 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.78 154.59 88.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -20.25 16.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -147.87 133.15 18.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p -95.36 18.63 12.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 110.015 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.96 10.39 68.12 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.34 14.79 63.32 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.438 ' CD1' ' HD2' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -74.04 162.54 73.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HD2' ' CD1' ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.06 -10.97 21.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.521 1.8 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -136.23 138.67 42.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.13 124.36 48.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.1 t -72.53 138.84 47.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.411 ' SG ' ' CG2' ' A' ' 50' ' ' ILE . 96.7 m -130.75 106.96 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 108.248 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.39 119.31 19.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mp -102.05 149.99 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.4 m -144.38 129.32 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.415 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.66 -152.12 24.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.0 p -77.57 164.07 60.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.409 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.65 14.54 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.76 -30.24 45.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.4 m -82.94 -38.63 22.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.418 ' CG1' ' HE2' ' A' ' 75' ' ' LYS . 41.8 t -58.33 -44.72 88.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -66.81 -54.27 24.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.8 m -48.81 -55.68 10.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.9 -52.54 57.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.476 ' HD3' ' CD1' ' A' ' 19' ' ' TYR . 20.1 mtmt -44.76 -54.87 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -47.92 -49.96 28.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.5 mt -56.48 -46.86 80.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.53 -68.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -40.57 -47.58 2.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -66.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.539 HG21 ' CE2' ' A' ' 28' ' ' PHE . 51.5 mt -41.72 -56.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.447 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 84.7 t -48.4 -56.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -57.15 -56.89 15.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.9 -54.04 10.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.01 -79.07 0.29 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER 39.05 77.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.03 84.55 6.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.11 176.57 21.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.113 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.95 11.91 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.491 1.785 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.26 168.07 10.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.0 p -155.12 129.88 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.959 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.5 p -135.47 163.95 28.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.779 . . . . 0.0 109.992 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -106.38 167.42 9.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.89 118.22 1.86 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -120.36 104.63 10.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.83 154.12 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.19 -84.69 1.82 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.4 m170 63.76 120.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 109.605 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -147.53 123.91 10.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -177.58 160.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.312 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -41.92 132.66 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -123.15 -57.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.52 143.58 7.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.462 HG12 ' CA ' ' A' ' 66' ' ' GLY . 11.6 t -126.34 151.64 33.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -140.92 165.39 27.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.0 m -114.71 133.99 55.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 9.2 tp10 -131.25 146.17 52.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 13.5 tt0 -110.4 98.4 7.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.458 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 41.4 t80 -101.13 124.47 46.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -92.36 139.6 30.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.5 m -135.29 158.01 75.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 114.01 3.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.38 -26.49 7.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.91 -7.68 56.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.1 mmm -123.39 -39.88 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.798 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -44.76 -47.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.158 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -50.88 -29.22 19.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.59 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -94.3 -21.18 19.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 0.0 110.992 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.454 HG12 ' CG2' ' A' ' 81' ' ' ILE . 19.0 mt -65.58 -36.47 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.476 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.6 mt -58.42 -56.09 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' ARG . . . 89.32 54.32 2.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER 37.99 85.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.29 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.21 -37.14 3.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' HA2' ' CG2' ' A' ' 30' ' ' ILE . . . 110.94 30.56 3.17 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -86.36 -26.03 25.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -77.55 -33.68 54.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.476 ' O ' ' CD1' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -81.37 -33.88 12.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.419 ' N ' HG22 ' A' ' 37' ' ' ILE . 9.6 t -55.0 -51.29 66.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -35.9 62.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.409 HG21 ' CB ' ' A' ' 77' ' ' LEU . 48.5 mt -68.75 -40.87 82.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.471 ' HG3' ' CD1' ' A' ' 37' ' ' ILE . 35.9 mt-30 -69.84 -36.75 75.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -78.94 -29.55 44.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.75 -53.02 37.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.491 ' OG ' ' CB ' ' A' ' 74' ' ' ALA . 6.8 p -91.39 -8.02 49.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.72 27.61 61.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.19 155.14 22.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -87.15 144.22 26.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.459 HG12 ' CD2' ' A' ' 64' ' ' LEU . 40.7 mt -136.49 105.83 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -100.74 100.13 10.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.9 mt -96.93 138.26 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.446 ' O ' ' NH1' ' A' ' 60' ' ' ARG . . . -65.85 154.77 88.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -41.08 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.792 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.02 110.4 7.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 83.2 p -50.61 -32.63 19.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.31 17.58 33.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.83 5.01 63.1 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.66 154.94 94.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -23.89 13.35 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -131.88 133.32 44.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -95.01 115.77 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 t -63.19 141.65 58.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 89.6 m -132.31 109.45 9.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 108.296 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 mtp -77.61 116.06 17.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.459 ' CD2' HG12 ' A' ' 48' ' ' ILE . 1.4 mp -102.51 146.89 27.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.0 m -144.44 126.92 15.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.462 ' CA ' HG12 ' A' ' 14' ' ' VAL . . . 145.94 -170.97 27.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.3 p -49.86 162.02 0.5 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 110.411 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -36.06 2.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -23.13 61.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.5 m -80.11 -42.53 23.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.9 t -55.75 -45.48 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.446 ' NE2' ' HZ3' ' A' ' 75' ' ' LYS . 2.7 mp0 -65.47 -52.71 50.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.5 m -49.38 -55.37 13.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.491 ' CB ' ' OG ' ' A' ' 44' ' ' SER . . . -58.27 -44.68 88.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 11.7 mtmt -48.65 -51.25 29.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -52.34 -54.37 32.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.409 ' CB ' HG21 ' A' ' 40' ' ' ILE . 13.5 mt -49.92 -47.41 52.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.36 -70.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -40.83 -51.63 3.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -38.77 -64.35 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.454 ' CG2' HG12 ' A' ' 29' ' ' ILE . 35.1 mt -41.95 -58.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.414 ' O ' ' CG ' ' A' ' 86' ' ' ARG . 70.9 t -47.56 -41.47 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 80' ' ' GLN . 1.4 mt-10 -72.37 -64.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.237 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -40.45 -42.86 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.66 -49.38 24.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' A' ' 82' ' ' VAL . 2.3 mmt180 -42.41 -54.67 3.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.6 t 176.68 91.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.025 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 60.77 177.57 1.92 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 109.06 2.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 91' ' ' SER . 3.4 m 61.85 -84.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.947 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.9 OUTLIER 82.2 151.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.02 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.44 1.088 . . . . 0.0 110.975 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.5 95.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.003 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -67.9 122.21 17.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.45 -93.78 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.07 80.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.753 . . . . 0.0 110.014 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.3 p -153.36 125.31 7.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.039 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.85 112.65 1.12 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -108.87 83.79 1.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 109.576 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -144.44 167.68 21.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -97.9 132.31 43.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.91 99.75 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -143.77 103.69 4.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.76 140.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.462 HG11 ' CA ' ' A' ' 66' ' ' GLY . 48.6 t -128.8 149.33 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.4 ptm -127.01 166.38 17.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.2 m -124.53 138.2 54.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 6.2 tp10 -130.91 145.69 52.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 20.1 tt0 -103.98 106.83 17.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.552 ' CD1' ' HE2' ' A' ' 75' ' ' LYS . 36.2 t80 -114.94 125.96 54.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -96.22 150.31 20.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -144.15 161.2 46.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.12 5.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.81 -21.04 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.18 -2.61 83.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 28' ' ' PHE . 96.9 mmm -125.31 -45.21 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.9 p -43.7 -49.8 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.497 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.37 -31.7 4.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -94.25 -22.93 18.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.992 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.436 HG12 ' CG2' ' A' ' 81' ' ' ILE . 8.7 mt -64.93 -35.94 76.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.497 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.5 mp -60.77 -58.83 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.94 165.01 21.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.55 -62.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 0.791 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.8 28.76 10.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.51 27.8 73.36 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -92.0 -22.77 19.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -59.98 -38.84 83.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.467 ' CD1' HD23 ' A' ' 78' ' ' LEU . 5.8 tp -78.56 -45.41 25.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.2 t -44.44 -44.0 8.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -36.31 80.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.453 HG23 ' CD1' ' A' ' 77' ' ' LEU . 32.5 mt -73.16 -36.36 49.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -70.46 -35.38 73.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -83.28 -28.87 28.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.43 -45.28 60.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.405 ' HB2' ' CB ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -99.03 2.51 46.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 45.0 32.83 3.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.504 ' CB ' ' HB2' ' A' ' 70' ' ' SER . 2.8 t -114.03 156.41 24.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -90.94 138.81 31.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.1 mt -133.21 112.62 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -113.34 99.98 8.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.456 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 2.9 mt -95.74 135.62 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.0 156.05 85.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -21.89 15.4 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -158.79 113.17 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' GLY . 92.1 p -70.91 59.36 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' SER . . . 37.04 -103.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.28 20.32 3.18 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.82 157.75 54.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -30.16 7.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.84 136.18 49.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.456 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 0.4 OUTLIER -92.32 117.65 30.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.1 t -66.14 140.31 58.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.6 m -127.91 106.14 8.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 108.265 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 96.8 mmm -78.75 115.79 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mp -96.9 150.31 20.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.8 m -137.2 121.24 17.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.384 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.462 ' CA ' HG11 ' A' ' 14' ' ' VAL . . . 149.72 -147.56 17.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.415 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 1.0 OUTLIER -88.2 175.54 4.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 110.409 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.56 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 70' ' ' SER . 4.3 pt-20 -62.46 -35.74 80.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.504 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 19.5 p -75.52 -45.81 35.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 67' ' ' THR . 73.1 t -59.13 -45.53 92.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -60.75 -57.9 10.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.405 ' CB ' ' HB2' ' A' ' 44' ' ' SER . 72.6 m -48.24 -58.16 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.48 -53.38 18.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.552 ' HE2' ' CD1' ' A' ' 19' ' ' TYR . 1.2 mtpm? -45.14 -57.69 3.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' O ' ' CD ' ' A' ' 80' ' ' GLN . 18.1 mmt180 -45.68 -46.36 14.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.453 ' CD1' HG23 ' A' ' 40' ' ' ILE . 73.5 mt -62.22 -51.6 67.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 37' ' ' ILE . 85.1 mt -56.64 -46.89 80.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 80' ' ' GLN . 6.0 t0 -61.25 -53.0 62.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -38.34 -45.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.436 ' CG2' HG12 ' A' ' 29' ' ' ILE . 57.5 mt -57.16 -53.15 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 86' ' ' ARG . 47.0 t -65.12 -49.68 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -41.85 67.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -64.28 -61.91 1.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -97.73 49.39 1.44 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -76.29 -50.84 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.769 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.53 -56.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.13 97.42 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -54.73 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.761 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.55 119.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.33 -72.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 p -161.67 128.45 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.79 109.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.41 -170.21 11.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.7 p -174.91 115.05 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 0.803 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -169.77 166.82 9.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.986 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.29 103.28 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -169.67 151.35 4.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 0.804 . . . . 0.0 109.614 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -71.48 167.69 19.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -165.35 167.14 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 65.32 145.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -170.93 -53.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.65 164.57 31.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.5 t -114.78 151.66 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ptm -137.48 161.95 35.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.5 m -117.99 145.51 44.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -134.9 164.55 27.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -118.37 112.75 20.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.511 ' CD1' ' HE2' ' A' ' 75' ' ' LYS . 25.4 t80 -123.84 122.36 37.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -95.07 140.79 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' ARG . 3.1 m -130.37 160.25 66.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HG3' ' CG1' ' A' ' 82' ' ' VAL . 18.3 Cg_endo -74.98 122.26 7.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.438 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 1.5 t0 -57.22 -18.15 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.03 7.95 68.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.2 mmm -135.65 -44.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.438 ' CG1' ' HA ' ' A' ' 23' ' ' ASP . 14.6 p -42.28 -53.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -46.37 -34.93 6.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.589 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -87.59 -26.32 23.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 111.009 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.479 ' CG2' ' CD1' ' A' ' 37' ' ' ILE . 3.3 mt -63.27 -28.34 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 21.0 mt -60.84 -62.22 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.33 169.79 18.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.28 -47.38 25.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.04 39.98 1.77 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.64 25.8 59.05 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -91.66 -27.82 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 0.746 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -56.18 -44.61 79.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.479 ' CD1' ' CG2' ' A' ' 29' ' ' ILE . 2.8 tp -69.47 -49.2 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 t -45.24 -46.57 12.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.74 -33.27 60.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.439 HG21 ' CB ' ' A' ' 77' ' ' LEU . 22.7 mt -76.73 -35.09 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -71.27 -35.1 71.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -82.45 -28.49 31.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.46 -46.21 55.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.485 ' OG ' ' CB ' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -95.6 -3.52 46.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 50.01 36.88 28.46 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.37 157.38 31.96 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.15 141.88 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.5 mt -134.42 102.56 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -101.68 101.64 12.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.1 mt -98.8 124.81 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.516 ' CB ' ' NH1' ' A' ' 60' ' ' ARG . . . -66.3 156.56 84.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -66.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.564 1.823 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.78 132.13 39.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.4 p -83.0 -11.93 57.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.25 14.04 82.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.83 25.66 21.94 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.79 154.9 50.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -30.1 7.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 111.031 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -124.86 138.61 54.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.516 ' NH1' ' CB ' ' A' ' 51' ' ' ALA . 3.0 tpm_? -91.94 128.14 37.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.416 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 12.6 t -78.44 141.02 38.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.9 m -132.31 108.72 9.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.258 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -77.67 114.55 16.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 mp -98.34 147.88 24.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 91.6 m -144.16 134.58 24.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.339 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.48 -163.66 25.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.6 p -57.4 161.38 5.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -38.6 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.59 -16.0 63.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.2 m -90.84 -39.43 12.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.039 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 85.5 t -57.68 -42.08 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -54.61 10.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.4 m -46.83 -50.92 17.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.485 ' CB ' ' OG ' ' A' ' 44' ' ' SER . . . -59.43 -49.41 77.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.511 ' HE2' ' CD1' ' A' ' 19' ' ' TYR . 4.1 mtpm? -48.38 -52.12 23.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.03 -45.05 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.439 ' CB ' HG21 ' A' ' 40' ' ' ILE . 14.6 mt -62.62 -45.03 94.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.35 -66.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -44.74 -44.44 9.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -45.8 -65.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 46.2 mt -42.07 -50.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.423 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 73.0 t -59.23 -59.31 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -50.13 -47.13 54.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.347 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -55.06 -48.74 73.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.74 60.59 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 111.043 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.76 91.51 8.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 110.273 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -115.81 -69.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.82 -166.47 12.15 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 93.66 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.55 1.816 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -84.94 123.57 30.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.05 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.6 p -74.67 82.62 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.06 173.26 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 m 60.97 145.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.92 -168.63 20.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.571 1.169 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -152.24 157.7 41.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.982 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 174.78 125.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.54 110.49 0.44 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -179.97 119.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 109.562 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -140.01 114.67 9.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -112.72 151.57 30.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.64 142.97 14.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.38 -59.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.3 p -160.96 174.08 14.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.22 148.27 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ptm -126.52 163.65 22.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.5 m -116.08 135.64 53.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.452 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.0 tp10 -125.83 147.04 49.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 15.3 tt0 -108.97 100.88 10.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.492 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 28.0 t80 -109.02 125.06 51.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -98.24 134.39 41.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' ARG . 11.9 m -124.67 159.26 59.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.469 ' CD ' HG21 ' A' ' 82' ' ' VAL . 18.3 Cg_endo -74.99 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 11.4 t70 -53.59 -21.06 5.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.76 -2.17 85.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 97.6 mmm -127.08 -39.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.488 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 9.8 p -42.5 -52.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.21 -33.66 5.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -90.97 -22.75 20.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.419 ' CG2' HD13 ' A' ' 37' ' ' ILE . 5.1 mt -63.83 -47.34 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 26' ' ' VAL . 1.7 mp -47.96 -61.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.48 166.02 16.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -41.28 -56.64 2.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.94 26.12 8.08 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.25 23.3 78.16 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -87.38 -26.46 23.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.57 -44.29 85.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.419 HD13 ' CG2' ' A' ' 29' ' ' ILE . 3.8 tp -74.58 -40.77 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.82 -50.84 24.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.95 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -33.05 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.411 HG21 ' CB ' ' A' ' 77' ' ' LEU . 37.1 mt -75.52 -38.08 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -69.69 -34.3 73.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -84.15 -35.54 23.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.22 -55.25 37.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.2 p -87.37 -19.95 27.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.19 22.3 79.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.563 1.164 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.64 158.43 16.71 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.85 143.67 26.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.9 mt -134.75 102.96 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.71 100.71 11.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.4 mt -96.28 123.22 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.523 ' CB ' ' CZ ' ' A' ' 60' ' ' ARG . . . -66.89 159.98 72.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -80.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.504 1.791 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.448 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -80.31 130.49 35.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 60' ' ' ARG . 4.1 p -87.66 43.73 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.958 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' SER . . . 36.92 -95.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 54' ' ' SER . . . -150.63 23.62 1.05 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -95.2 154.32 39.53 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.776 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -30.95 6.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -110.06 140.26 44.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.523 ' CZ ' ' CB ' ' A' ' 51' ' ' ALA . 4.0 tpm_? -87.8 124.83 34.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.6 t -73.17 128.76 36.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.8 m -122.79 109.3 14.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 108.283 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.37 114.64 16.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.2 mp -98.39 146.12 26.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 m -144.41 134.48 24.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.05 -166.14 25.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p -55.55 161.3 3.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.527 0.781 . . . . 0.0 110.405 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -31.98 5.78 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.94 -22.16 56.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.6 m -84.55 -34.38 23.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.0 t -61.99 -42.46 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -69.18 -56.51 7.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.9 m -47.23 -54.06 11.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.13 -51.52 66.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.492 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 2.7 mtpm? -45.98 -53.36 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -49.99 -49.51 50.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.411 ' CB ' HG21 ' A' ' 40' ' ' ILE . 42.2 mt -57.95 -40.23 80.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.93 -68.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -41.96 -49.86 4.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.36 -60.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.553 HG21 ' CE2' ' A' ' 28' ' ' PHE . 53.8 mt -42.71 -61.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.469 HG21 ' CD ' ' A' ' 22' ' ' PRO . 54.9 t -49.26 -49.1 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.77 -59.8 4.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -47.58 -48.65 27.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.76 -47.88 82.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -45.01 -43.27 9.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 t 48.88 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.948 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 150.45 -170.31 30.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.17 40.47 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.801 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.8 t -74.4 134.29 42.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.5 p -144.21 133.11 22.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.961 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 58.2 101.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.995 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -127.83 -58.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.35 170.23 13.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.46 148.24 41.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -106.15 128.28 53.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.05 -92.33 0.27 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -174.51 145.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.58 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.73 139.62 14.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.92 168.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 59.28 85.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.41 136.18 33.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.3 m -102.89 161.61 13.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.953 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.456 HG12 ' CA ' ' A' ' 66' ' ' GLY . 93.9 t -117.54 150.73 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ptm -128.61 164.99 21.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.5 m -116.87 143.23 45.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.4 tp10 -136.14 145.28 45.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 6.7 tt0 -109.36 108.18 18.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 21.4 t80 -111.33 121.56 45.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.45 132.13 38.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 m -128.14 160.42 61.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.444 ' CD ' HG21 ' A' ' 82' ' ' VAL . 18.4 Cg_endo -74.92 119.71 5.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -53.19 -24.44 10.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.13 -3.19 68.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.447 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 97.0 mmm -124.57 -40.27 2.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.491 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 4.4 p -43.99 -50.79 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.483 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -48.71 -30.35 8.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.464 1.102 . . . . 0.0 110.976 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.573 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.1 t80 -94.29 -20.78 19.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 0.769 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.1 mt -65.58 -40.61 88.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -57.36 -62.42 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.83 60.66 1.07 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.71 85.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 110.251 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.55 -46.2 1.2 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 0.0 110.955 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.454 ' HA2' ' CG2' ' A' ' 30' ' ' ILE . . . 127.95 42.74 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -95.26 -29.64 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.74 -33.45 66.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.0 tp -82.52 -33.35 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.1 t -51.96 -57.48 9.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.69 -33.12 21.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.406 HG22 ' CB ' ' A' ' 77' ' ' LEU . 36.3 mt -74.77 -38.64 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -69.37 -34.29 74.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -82.19 -36.65 27.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.16 -55.6 32.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.8 p -87.28 -17.93 31.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.59 27.01 74.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -109.36 158.38 17.97 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -90.79 141.8 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.5 mt -132.86 106.15 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.19 102.74 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.2 137.69 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.485 ' CB ' ' NH1' ' A' ' 60' ' ' ARG . . . -68.39 160.72 74.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -32.61 5.18 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -146.55 155.6 42.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 55' ' ' GLY . 77.3 p -94.02 -69.04 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' N ' ' OG ' ' A' ' 54' ' ' SER . . . 52.09 93.8 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.557 1.161 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.17 -60.33 0.66 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -112.92 154.61 44.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.7 10.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.94 134.74 37.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.485 ' NH1' ' CB ' ' A' ' 51' ' ' ALA . 3.0 tpm_? -88.61 123.8 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.433 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 11.8 t -72.72 138.08 46.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 59.8 m -129.31 115.32 17.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 108.292 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.6 mtp -83.22 116.43 22.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -97.86 148.78 23.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.8 m -144.26 128.47 17.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.375 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.456 ' CA ' HG12 ' A' ' 14' ' ' VAL . . . 142.27 -166.36 26.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.432 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 8.4 p -57.37 162.62 4.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 110.415 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -35.53 3.05 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -70.48 -24.06 62.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 m -85.13 -33.69 22.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.042 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 67' ' ' THR . 80.3 t -61.91 -48.81 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -63.97 -52.54 59.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.73 -56.38 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.86 -50.66 68.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.56 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 4.5 mtpt -47.01 -53.49 12.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -49.38 -47.25 47.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.406 ' CB ' HG22 ' A' ' 40' ' ' ILE . 18.7 mt -62.57 -47.35 84.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 94.7 mt -56.87 -67.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -40.91 -46.78 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.19 -58.3 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 75.8 mt -41.19 -62.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.447 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 61.5 t -46.58 -58.87 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.07 -55.58 16.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -24.28 42.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -119.84 52.51 0.72 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.27 97.53 6.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.1 p -171.85 161.51 5.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.15 -85.66 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.85 40.82 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.812 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.3 m 54.71 103.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.8 t -146.84 79.65 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.954 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -176.93 156.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 t -84.18 169.65 14.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.74 65.64 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -111.92 133.64 53.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.754 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -139.16 140.53 37.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.16 155.99 23.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.415 1.072 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.28 153.04 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 0.795 . . . . 0.0 109.575 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.59 106.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -96.15 146.44 24.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.25 167.81 10.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.78 154.55 18.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.0 m 57.01 167.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.952 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG13 ' CA ' ' A' ' 66' ' ' GLY . 84.7 t -125.72 151.48 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ptm -128.75 165.14 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.1 m -110.28 150.39 28.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.6 tp10 -141.44 146.05 36.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 5.6 tt0 -110.36 107.71 17.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.538 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 20.3 t80 -115.37 125.47 53.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.35 134.25 42.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' ARG . 4.9 m -125.56 159.42 60.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.461 ' CD ' HG21 ' A' ' 82' ' ' VAL . 18.2 Cg_endo -75.03 118.94 5.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.2 -22.91 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.06 -2.69 79.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.5 mmm -125.9 -40.38 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.502 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 6.3 p -43.38 -51.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.477 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -47.93 -31.09 7.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.1 t80 -93.44 -20.76 20.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.439 HG12 ' CG2' ' A' ' 81' ' ' ILE . 7.9 mt -65.72 -41.94 91.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 26' ' ' VAL . 1.9 mp -53.5 -57.18 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' ARG . . . 92.82 57.45 1.41 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' GLY . 6.8 mmm180 38.64 85.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.15 -42.89 1.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' HA2' ' CG2' ' A' ' 30' ' ' ILE . . . 121.09 39.07 0.61 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -94.47 -26.78 16.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -75.28 -34.15 61.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' ILE . 2.4 tp -76.62 -46.17 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -44.2 -56.97 3.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -48.21 -31.95 6.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 110.245 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.452 ' CD1' HD11 ' A' ' 81' ' ' ILE . 33.3 mt -77.36 -38.63 27.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -68.58 -32.88 73.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -84.69 -38.78 19.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.01 -57.07 13.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.0 p -86.18 -19.9 29.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.94 25.1 75.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.74 157.63 17.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -88.01 142.53 27.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.8 mt -134.26 104.14 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -103.98 100.15 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.7 mt -94.11 126.7 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.558 ' CB ' ' CZ ' ' A' ' 60' ' ' ARG . . . -65.76 158.78 73.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -78.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.26 129.77 34.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.471 ' HA ' ' CZ ' ' A' ' 60' ' ' ARG . 1.3 t -83.98 2.85 36.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.79 10.93 47.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.54 18.53 44.73 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.07 155.63 84.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.777 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -25.45 11.84 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.801 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -129.73 135.41 48.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.558 ' CZ ' ' CB ' ' A' ' 51' ' ' ALA . 4.2 tpm_? -87.9 124.78 34.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -74.94 135.82 41.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 75.0 m -130.67 104.4 7.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.2 mmm -76.88 118.36 19.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.401 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.6 mp -99.77 150.53 22.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.6 m -144.51 126.92 15.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.458 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 146.6 -165.26 28.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.4 ' OG1' ' OG ' ' A' ' 70' ' ' SER . 38.7 p -57.14 161.82 4.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.24 3.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.802 . . . . 0.0 111.047 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.75 -19.81 61.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 110.241 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.4 ' OG ' ' OG1' ' A' ' 67' ' ' THR . 62.9 m -87.6 -35.23 18.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.036 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.62 -46.76 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -66.49 -52.64 43.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.13 -48.57 23.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.93 -48.24 79.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.538 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 5.1 mtpm? -51.18 -49.44 60.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -53.23 -34.92 59.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.412 ' CB ' HG22 ' A' ' 40' ' ' ILE . 13.6 mt -75.43 -40.64 57.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.75 -62.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.23 -46.22 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -60.25 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.464 HG22 ' CE2' ' A' ' 28' ' ' PHE . 73.2 mt -41.16 -57.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.461 HG21 ' CD ' ' A' ' 22' ' ' PRO . 74.8 t -50.82 -58.56 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -51.3 -53.39 36.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -54.14 -21.06 7.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.402 ' HA3' ' CE ' ' A' ' 25' ' ' MET . . . -126.96 55.16 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.43 109.74 16.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.52 89.97 1.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.31 -73.64 1.06 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.466 1.103 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.83 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 97.9 p -178.52 125.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 t -163.93 79.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.015 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.8 p -106.71 131.72 53.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -64.18 133.95 53.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.039 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.1 142.67 6.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.53 98.78 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 110.014 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 m -118.14 163.28 16.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.28 153.02 8.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -143.11 163.94 31.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 109.607 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -123.92 172.73 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -167.11 152.77 7.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -135.38 154.57 51.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -143.11 -63.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.8 m -155.88 177.83 10.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.0 t -110.98 147.08 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 ptm -129.4 166.07 20.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.3 m -120.01 124.49 46.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -118.83 160.49 21.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -121.07 103.86 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.464 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 35.8 t80 -111.78 129.52 56.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -100.27 145.71 27.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' ARG . 3.1 m -136.0 160.31 67.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.408 ' HG2' ' CG ' ' A' ' 25' ' ' MET . 18.3 Cg_endo -74.98 118.63 5.34 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.45 -22.36 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.83 6.37 62.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 98.7 mmm -133.61 -43.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 9.5 p -43.27 -52.3 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.489 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.05 -30.89 4.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -94.29 -21.31 19.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.993 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.469 HG12 ' CG2' ' A' ' 81' ' ' ILE . 10.5 mt -65.94 -33.31 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.489 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.3 mp -64.42 -62.0 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.19 171.9 20.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.444 1.09 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -43.6 -58.91 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.306 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.23 36.38 3.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.79 31.23 77.72 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.81 -17.32 23.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -72.16 -39.73 68.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.1 tp -77.67 -39.38 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 t -47.21 -53.89 12.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -35.31 59.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.42 HG23 ' CB ' ' A' ' 77' ' ' LEU . 32.2 mt -73.59 -38.05 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -69.9 -33.7 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.349 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -84.62 -37.1 21.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.65 -57.04 13.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.8 p -87.26 -19.27 28.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.043 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.73 21.78 79.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -103.19 158.41 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -91.41 140.5 29.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.4 mt -131.22 108.8 15.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -108.42 102.58 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.3 mt -98.73 136.45 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.498 ' CB ' ' NH1' ' A' ' 60' ' ' ARG . . . -65.84 155.82 85.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -120.37 126.09 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.408 ' HA ' ' NE ' ' A' ' 60' ' ' ARG . 42.1 p -65.94 -48.49 71.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.957 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.93 23.73 8.05 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.103 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.8 18.64 67.41 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.8 155.13 73.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.546 0.792 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -29.81 7.88 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -130.88 138.5 49.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.498 ' NH1' ' CB ' ' A' ' 51' ' ' ALA . 3.1 tpm_? -88.28 126.41 35.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 t -78.71 134.05 37.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.965 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 55.6 m -129.35 114.35 16.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.31 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 93.9 mmm -85.08 118.63 24.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -94.91 148.94 21.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 m -144.45 119.08 9.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.453 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.1 -162.5 30.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.9 p -60.28 163.15 8.94 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.538 0.787 . . . . 0.0 110.394 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -36.08 2.79 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.53 1.805 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -74.0 -16.1 61.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.0 m -89.26 -34.08 16.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.2 t -63.43 -44.53 98.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -65.8 -55.99 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.29 -50.95 11.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -58.36 -55.94 28.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 4.7 mtpp -43.55 -47.84 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -54.77 -40.5 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 74' ' ' ALA . 31.6 mt -70.08 -53.15 18.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 90.9 mt -52.48 -63.9 0.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' GLN . 59.1 t0 -43.82 -52.18 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER -38.79 -58.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.469 ' CG2' HG12 ' A' ' 29' ' ' ILE . 43.0 mt -43.42 -59.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.457 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 99.0 t -46.76 -57.72 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.05 -57.18 12.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -25.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -131.88 65.09 0.6 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.93 -41.84 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.3 m -71.71 168.48 17.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -168.98 -88.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -50.87 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.2 p -178.14 95.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 t -162.94 124.66 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.035 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -160.47 146.14 14.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.72 143.93 14.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.63 -165.6 10.88 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.57 1.169 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -164.82 138.45 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.02 151.13 42.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.937 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.99 -176.88 14.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -159.45 -62.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.623 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -52.28 144.32 13.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -167.78 123.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -124.02 172.04 9.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -111.82 -52.67 2.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -64.06 161.64 15.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.034 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.468 HG11 ' CA ' ' A' ' 66' ' ' GLY . 99.0 t -123.29 148.29 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.9 ptm -116.19 163.29 16.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.3 m -123.24 139.83 53.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.8 tp10 -130.04 146.48 51.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 16.1 tt0 -105.64 101.94 11.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.555 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 12.1 t80 -108.93 123.85 49.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -98.19 135.98 39.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' ARG . 1.7 m -128.51 161.16 58.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.443 ' CD ' HG21 ' A' ' 82' ' ' VAL . 18.3 Cg_endo -75.05 117.45 4.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.55 -30.81 21.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.21 -9.75 55.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.4 mmm -121.74 -37.69 2.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.502 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 1.8 p -44.16 -49.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -50.09 -29.92 15.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.5 t80 -94.27 -21.45 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.462 HG12 ' CG2' ' A' ' 81' ' ' ILE . 6.6 mt -64.57 -43.1 96.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -53.69 -66.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.55 167.67 33.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.161 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -55.75 107.39 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.09 4.46 72.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.01 37.38 18.99 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -87.54 -25.26 23.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -69.14 -37.43 78.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.2 tp -80.75 -37.12 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.11 -52.89 31.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -53.84 -33.94 57.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.459 ' CD1' HD13 ' A' ' 81' ' ' ILE . 31.9 mt -74.35 -38.81 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -70.29 -32.49 70.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -87.1 -31.4 20.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 3.2 mm-40 -62.49 -54.0 46.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.4 p -89.75 -16.38 30.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.76 20.1 77.21 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.34 158.1 16.57 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.62 144.75 25.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.7 mt -135.26 106.83 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -104.08 107.6 18.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.2 mt -105.2 136.34 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.497 ' CB ' ' NH1' ' A' ' 60' ' ' ARG . . . -66.96 154.54 92.18 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -41.68 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -121.49 130.69 53.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.329 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.415 ' HA ' ' NE ' ' A' ' 60' ' ' ARG . 69.3 p -76.6 -35.41 58.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.05 -81.45 0.51 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.16 29.55 0.2 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.93 154.7 37.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -30.52 7.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -121.56 140.25 52.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.497 ' NH1' ' CB ' ' A' ' 51' ' ' ALA . 3.1 tpm_? -87.53 129.9 34.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 t -78.54 127.6 32.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.6 m -125.12 115.47 20.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 108.294 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 93.6 mmm -88.56 116.04 26.51 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.416 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.8 mp -95.22 152.06 18.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 90.8 m -143.72 124.23 13.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.363 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.468 ' CA ' HG11 ' A' ' 14' ' ' VAL . . . 147.02 -166.07 28.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 42.8 p -56.55 161.31 4.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -34.01 4.11 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.51 -23.7 60.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.5 m -80.86 -38.39 28.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.4 t -61.23 -47.65 92.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -61.2 2.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 m -44.87 -54.72 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.13 -53.95 42.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -44.06 -54.08 5.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -50.25 -43.86 53.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.25 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.401 ' CB ' HG21 ' A' ' 40' ' ' ILE . 51.6 mt -63.26 -38.61 91.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.84 -66.31 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -41.63 -34.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -59.31 5.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.506 HG22 ' CE2' ' A' ' 28' ' ' PHE . 86.6 mt -40.32 -54.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.443 HG21 ' CD ' ' A' ' 22' ' ' PRO . 42.2 t -52.05 -55.35 10.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.27 -53.75 54.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.37 -26.4 4.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -123.58 51.3 0.81 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.54 -44.78 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.5 m -89.98 -61.7 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.983 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.89 -152.69 8.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 130.09 12.93 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.53 111.8 23.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.964 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.6 t -134.44 134.58 41.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.103 . . . . 0.0 110.016 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.427 1.079 . . . . 0.0 111.004 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -164.56 168.35 18.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 0.0 110.008 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 p -156.81 163.94 38.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.036 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.23 129.28 1.26 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.43 126.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.961 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -178.72 132.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.026 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.53 175.13 27.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -157.22 113.29 2.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.626 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.85 138.31 9.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -139.65 79.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -172.3 133.82 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.12 119.81 26.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.252 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.6 p -150.1 167.98 25.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 15' ' ' MET . 49.8 t -134.85 144.0 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.437 ' HE2' ' CG2' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -131.22 165.41 23.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -119.2 133.49 55.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 24.8 tp10 -125.48 145.93 49.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 15.7 tt0 -101.57 100.69 11.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.231 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.413 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 23.5 t80 -108.22 121.88 45.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.34 142.99 27.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' ARG . 8.8 m -134.66 159.2 73.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.459 ' CD ' HG23 ' A' ' 82' ' ' VAL . 18.6 Cg_endo -74.93 118.34 5.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.047 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 7.6 t0 -52.63 -25.45 10.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.27 -3.44 65.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' PHE . 91.2 mmm -125.74 -39.97 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 6.1 p -43.04 -50.93 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.466 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -49.89 -33.08 19.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.6 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -90.48 -22.59 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mt -63.71 -42.07 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.2 mt -56.92 -72.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.57 166.88 13.76 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.41 -48.55 1.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 110.311 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.55 28.71 3.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.15 32.76 69.06 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -91.72 -19.35 22.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -73.45 -36.84 65.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.253 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.3 tp -80.61 -36.0 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.9 t -52.81 -53.73 44.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -52.07 -31.26 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.5 mt -76.87 -38.74 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -68.6 -35.06 76.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -82.98 -37.16 24.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -57.22 -55.23 37.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.3 p -87.89 -19.31 27.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.09 26.41 73.85 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.54 157.26 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.35 144.78 25.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -135.36 105.88 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -104.22 108.43 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.098 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.448 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 4.0 mt -104.51 126.97 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.5 ' CB ' ' NH1' ' A' ' 60' ' ' ARG . . . -65.72 158.87 72.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -63.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.13 140.5 29.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' GLY . 59.9 p -93.1 23.01 4.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.3 -90.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' SER . . . -157.04 26.18 0.49 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -100.46 154.3 37.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.339 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -29.87 7.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -112.58 140.78 47.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.5 ' NH1' ' CB ' ' A' ' 51' ' ' ALA . 3.0 tpm_? -88.96 126.01 35.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.252 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -73.61 136.77 43.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 80.9 m -130.7 118.46 20.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.4 mtp -86.52 118.96 26.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.4 mp -101.67 147.47 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.7 m -144.5 128.45 17.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.93 -168.75 26.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 p -51.34 162.18 0.69 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.78 2.93 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.788 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.54 -28.62 62.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.2 m -72.99 -42.26 63.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.437 ' CG2' ' HE2' ' A' ' 15' ' ' MET . 65.6 t -56.57 -52.1 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.414 ' HA ' ' CE ' ' A' ' 75' ' ' LYS . 33.4 mt-30 -58.62 -48.6 80.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.56 -50.85 64.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.3 -44.26 92.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.414 ' CE ' ' HA ' ' A' ' 72' ' ' GLN . 29.0 mtmt -49.56 -43.42 45.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -64.7 -53.23 50.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.9 mt -53.01 -31.64 42.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.78 -67.78 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -42.32 -40.45 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -60.98 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.436 HG23 ' CE2' ' A' ' 28' ' ' PHE . 32.5 mt -40.36 -58.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.459 HG23 ' CD ' ' A' ' 22' ' ' PRO . 86.0 t -45.06 -60.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.3 -56.72 16.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -43.89 -30.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -117.25 46.64 1.12 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 88' ' ' GLY . 2.0 mtt180 -126.41 -174.6 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 0.784 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.9 -74.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.978 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 86' ' ' ARG . . . -156.52 -149.79 5.47 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.475 1.11 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 91' ' ' SER . 18.3 Cg_endo -74.98 -30.12 7.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.813 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.94 -83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 89' ' ' PRO . 67.1 m -125.93 99.83 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t 72.04 -59.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 0.772 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -133.84 109.67 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.79 137.13 2.2 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.442 1.089 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -170.89 96.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 p -152.91 112.66 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.63 134.54 35.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -157.92 73.09 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.577 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -102.03 144.34 30.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -149.28 104.64 3.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.16 -171.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.54 -176.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.73 151.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.7 t -133.02 147.38 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -136.11 165.26 26.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.2 m -121.68 132.07 54.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.426 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -130.91 147.59 52.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -105.56 99.69 9.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.533 ' CD1' ' HE2' ' A' ' 75' ' ' LYS . 35.8 t80 -105.71 116.7 32.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -92.36 141.14 28.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.85 162.75 55.59 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.25 4.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -53.24 -28.56 27.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.05 -6.39 52.63 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.2 mmm -121.81 -40.32 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 0.72 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.7 p -43.79 -48.43 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.5 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.61 -30.95 4.88 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.469 1.105 . . . . 0.0 111.037 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.564 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -94.38 -24.11 17.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.443 HG12 ' CG2' ' A' ' 81' ' ' ILE . 38.6 mt -64.14 -33.51 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.5 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.8 mt -61.04 -60.37 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.46 59.89 1.33 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.3 90.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.746 . . . . 0.0 110.312 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.41 -39.15 2.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.461 ' HA2' ' CG2' ' A' ' 30' ' ' ILE . . . 119.18 36.49 0.87 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -89.32 -27.77 20.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -73.66 -34.83 65.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' ILE . 3.1 tp -77.01 -48.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.9 t -44.07 -50.08 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.06 -33.77 53.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' ILE . 22.0 mt -76.6 -37.74 29.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -69.76 -31.57 69.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -85.68 -34.11 21.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.2 -51.49 66.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.9 p -89.91 -16.87 29.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.02 25.56 73.31 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.05 157.74 17.59 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -89.53 142.95 27.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.5 mt -135.39 102.12 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -96.81 100.12 11.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.6 mt -100.6 120.78 50.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.502 ' CB ' ' CZ ' ' A' ' 60' ' ' ARG . . . -66.2 160.27 65.78 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -75.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 5.2 m-20 -82.96 130.83 35.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.481 ' HA ' ' CZ ' ' A' ' 60' ' ' ARG . 0.9 OUTLIER -87.78 43.52 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 36.99 -95.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 54' ' ' SER . . . -151.16 22.4 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.06 154.12 39.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -29.85 7.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.778 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -109.37 142.49 40.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.502 ' CZ ' ' CB ' ' A' ' 51' ' ' ALA . 4.0 tpm_? -90.45 124.66 35.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.7 t -72.92 128.25 34.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.8 m -125.73 109.51 12.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 108.277 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 89.5 mmm -81.13 123.07 28.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.7 mp -103.37 146.35 28.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.3 m -144.29 125.84 14.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.7 -151.38 23.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.135 . . . . 0.0 111.036 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.2 p -75.16 163.4 68.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 110.407 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.98 7.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.11 -18.97 60.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.4 m -91.71 -36.21 13.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.015 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.04 -39.3 81.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.45 -58.54 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 m -47.53 -51.43 20.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.01 -52.85 64.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.533 ' HE2' ' CD1' ' A' ' 19' ' ' TYR . 6.0 mtpm? -45.29 -48.08 13.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -55.02 -52.78 62.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.4 mt -54.0 -31.55 51.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.7 mt -74.87 -66.18 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -44.84 -49.24 10.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -41.77 -56.28 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.443 ' CG2' HG12 ' A' ' 29' ' ' ILE . 19.4 mt -47.61 -49.02 10.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.9 t -63.31 -57.45 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.586 1.179 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -49.78 -43.34 48.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -39.5 93.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -113.31 59.24 0.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -43.93 7.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 0.0 110.351 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -144.18 121.85 11.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.91 99.81 1.81 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 102.59 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.9 t 53.66 95.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.8 t -66.31 -57.08 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 p -117.41 88.58 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.742 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -106.58 150.07 26.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.62 98.75 0.98 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.439 1.087 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -62.39 120.27 10.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.779 . . . . 0.0 109.978 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -126.52 157.03 39.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.52 65.1 0.34 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -102.1 155.2 18.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.561 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -170.03 125.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 178.76 126.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -146.98 154.57 41.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -174.48 129.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.8 m 58.91 167.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.451 HG13 ' CA ' ' A' ' 66' ' ' GLY . 94.1 t -125.92 148.52 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.7 ptm -121.29 161.11 22.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -116.73 143.56 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.425 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 9.4 tp10 -136.14 145.98 46.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 11.3 tt0 -107.77 98.11 7.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 36.6 t80 -101.47 129.47 47.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -103.29 148.78 25.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.88 160.89 58.95 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.462 ' HG2' ' CG ' ' A' ' 25' ' ' MET . 18.3 Cg_endo -75.04 121.45 6.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.773 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.455 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 1.0 OUTLIER -52.86 -24.92 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.9 0.51 65.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 88.7 mmm -127.58 -40.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.49 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 10.9 p -43.23 -52.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.479 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.42 -30.94 4.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.547 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.3 t80 -94.26 -21.57 18.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.465 HG12 ' CG2' ' A' ' 81' ' ' ILE . 5.2 mt -64.99 -42.49 94.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -55.08 -64.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' GLY . . . 105.96 55.07 0.7 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.13 -77.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' GLY . . . -89.58 -24.43 30.78 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.94 36.45 1.24 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -94.86 -19.4 20.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.766 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -73.84 -34.9 64.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 40' ' ' ILE . 10.7 tp -77.01 -47.76 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 t -42.47 -53.35 4.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.011 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.41 -35.74 40.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' ILE . 32.7 mt -72.92 -37.88 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -69.93 -34.62 73.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -84.64 -25.28 28.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -76.06 -43.47 43.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.498 ' OG ' ' CB ' ' A' ' 74' ' ' ALA . 0.5 OUTLIER -98.99 -2.42 37.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.046 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.43 35.6 21.74 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -121.66 156.01 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -86.64 143.97 27.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.414 HG12 ' CD2' ' A' ' 64' ' ' LEU . 24.9 mt -136.13 103.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.59 100.18 10.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.9 mt -95.61 131.05 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.484 ' CB ' ' CZ ' ' A' ' 60' ' ' ARG . . . -67.02 160.8 68.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -80.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.32 117.26 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 60' ' ' ARG . 41.0 t -70.63 -6.64 38.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.27 7.79 73.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.63 -0.62 65.41 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.93 160.0 0.52 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.21 11.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 111.037 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.56 139.33 46.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.484 ' CZ ' ' CB ' ' A' ' 51' ' ' ALA . 7.0 tpm_? -85.41 111.88 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.238 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.3 t -65.21 132.42 49.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 62.3 m -129.8 118.42 21.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.8 mtp -90.64 122.1 33.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.414 ' CD2' HG12 ' A' ' 48' ' ' ILE . 1.6 mp -103.11 152.55 21.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.5 m -144.25 125.52 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.441 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.451 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 144.95 -162.0 28.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.0 p -63.33 162.14 27.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.428 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.85 4.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.24 -25.41 63.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 m -84.3 -37.32 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.993 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.71 -48.44 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.51 -50.97 69.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.1 m -51.18 -45.95 61.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.498 ' CB ' ' OG ' ' A' ' 44' ' ' SER . . . -66.94 -40.42 87.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.56 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 28.4 mtmt -54.86 -43.66 73.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.59 -37.99 76.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.1 -41.15 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.3 mt -70.11 -40.34 74.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -67.9 -46.1 72.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -55.15 11.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.465 ' CG2' HG12 ' A' ' 29' ' ' ILE . 70.3 mt -41.21 -57.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.467 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 75.8 t -48.52 -64.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -49.85 -52.29 33.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.87 -24.57 9.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -129.09 67.09 0.56 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -120.83 -44.16 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.778 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.9 m 57.59 160.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.022 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 174.11 -87.43 0.08 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.54 35.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 99.0 p -164.15 155.13 15.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 48.09 82.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.09 . . . . 0.0 110.028 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -153.19 88.2 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p -177.26 91.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.97 -113.75 0.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 p 179.2 132.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -96.92 149.4 21.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.29 134.25 11.68 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -124.62 167.81 14.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.442 0.731 . . . . 0.0 109.547 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 54.71 89.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.74 155.69 20.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -142.43 -172.7 3.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 171.15 -51.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.0 m -51.19 163.79 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.987 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.3 t -129.78 147.69 33.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 ptm -126.67 161.37 28.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.5 m -111.99 141.6 45.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 6.0 tp10 -134.52 145.52 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 11.9 tt0 -107.89 98.73 8.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.543 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 12.1 t80 -103.92 129.55 51.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -101.84 140.93 35.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.25 160.05 69.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.436 ' CD ' HG23 ' A' ' 82' ' ' VAL . 18.4 Cg_endo -74.97 117.71 5.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -53.78 -23.87 13.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.61 -9.78 78.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.4 mmm -119.58 -35.74 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.497 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 2.6 p -44.82 -49.66 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -50.11 -29.71 15.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.6 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -94.13 -23.86 17.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 111.002 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.1 mt -62.28 -43.51 98.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 26' ' ' VAL . 1.2 mp -53.17 -58.57 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.64 169.08 21.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -40.48 -60.25 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.283 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.59 41.8 1.8 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.78 25.93 64.4 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -90.0 -27.24 19.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -60.59 -40.33 91.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.27 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -77.73 -38.8 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 t -51.47 -46.39 63.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -31.54 67.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.444 HG21 ' CD1' ' A' ' 77' ' ' LEU . 16.3 mt -79.74 -36.67 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -69.48 -31.63 70.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -86.72 -37.38 17.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -58.33 -55.28 37.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 87.3 p -86.62 -17.47 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.34 30.09 76.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -111.59 158.38 19.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -89.19 141.25 28.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 mt -133.68 102.66 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -103.12 99.96 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 7.3 mt -95.21 125.42 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.496 ' CB ' ' CZ ' ' A' ' 60' ' ' ARG . . . -67.02 159.92 73.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -75.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.61 126.44 33.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 60' ' ' ARG . 3.0 p -86.14 46.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . . . 36.63 -96.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 54' ' ' SER . . . -150.52 24.2 1.07 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -93.84 153.65 40.97 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.41 10.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -111.15 144.03 40.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.496 ' CZ ' ' CB ' ' A' ' 51' ' ' ALA . 4.4 tpm_? -91.55 119.77 31.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.8 t -70.59 129.43 39.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 61.6 m -123.55 112.45 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 108.277 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.38 115.24 20.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.9 mp -98.88 146.84 25.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.7 m -142.28 124.72 15.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.92 -162.24 28.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.426 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 21.7 p -65.07 163.19 32.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.382 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.73 2.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -24.25 65.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.1 m -88.88 -29.79 19.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 67' ' ' THR . 60.2 t -66.22 -45.2 90.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -67.47 -51.48 50.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.44 -51.46 46.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.63 -52.4 65.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.543 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 6.9 mtpm? -47.77 -51.75 21.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.233 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -50.22 -44.85 53.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' A' ' 40' ' ' ILE . 10.6 mt -61.53 -55.85 26.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.2 mt -49.13 -63.16 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -45.51 -53.83 8.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.47 -59.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.573 HG21 ' CE2' ' A' ' 28' ' ' PHE . 97.6 mt -44.15 -62.07 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.436 HG23 ' CD ' ' A' ' 22' ' ' PRO . 79.5 t -45.74 -53.74 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.49 -59.3 5.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -48.11 25.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.59 -82.65 0.22 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.78 76.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.6 p -103.56 114.51 28.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.06 -145.0 0.88 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.04 41.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.56 1.821 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.9 t -52.92 102.22 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.973 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 m -150.33 77.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.77 161.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 0.729 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 p -177.83 110.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.84 147.54 11.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.72 136.27 37.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.974 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.5 p -110.86 108.83 18.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.66 -170.12 20.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.02 82.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.591 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -86.69 98.73 11.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.18 85.18 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.3 106.7 14.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -113.49 -60.82 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.9 p -173.22 163.75 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 15' ' ' MET . 33.0 t -94.84 146.77 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.412 ' N ' HG12 ' A' ' 14' ' ' VAL . 2.8 ppp? -128.23 166.59 18.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 m -125.99 122.35 35.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.473 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -122.86 162.09 22.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -121.88 97.9 5.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.529 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 37.6 t80 -102.45 129.29 48.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -102.35 139.89 37.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.36 160.46 67.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.95 5.45 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.462 1.769 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -53.06 -23.4 7.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.18 -4.13 77.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 99.0 mmm -124.29 -39.46 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.491 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 9.8 p -43.34 -51.04 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.473 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.14 -31.62 4.55 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.542 1.152 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.58 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -93.33 -21.44 19.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 0.742 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' VAL . 17.4 mt -64.71 -42.12 94.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -56.93 -62.76 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.95 176.58 51.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.26 117.08 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 48.85 37.6 21.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 58.4 42.51 95.76 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -89.7 -33.44 16.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.769 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -59.94 -40.6 89.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' ILE . 6.0 tp -75.98 -44.86 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 t -44.09 -46.8 8.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -35.45 74.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' ILE . 34.6 mt -74.1 -36.31 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -70.77 -34.83 72.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -83.15 -37.49 23.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -55.57 -57.05 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.4 p -86.8 -19.16 29.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.975 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.12 22.12 78.94 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.435 1.084 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -103.68 157.65 16.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -89.04 144.52 26.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.2 mt -136.53 105.59 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -102.12 100.25 10.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.0 mt -97.45 126.06 50.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.516 ' CB ' ' CZ ' ' A' ' 60' ' ' ARG . . . -65.86 159.36 70.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -81.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.78 121.03 26.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 60' ' ' ARG . 0.3 OUTLIER -69.64 -25.45 63.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.024 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.73 20.93 52.7 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.547 1.155 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.6 20.12 60.6 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.15 155.83 82.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.44 8.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.95 139.02 51.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.516 ' CZ ' ' CB ' ' A' ' 51' ' ' ALA . 6.2 tpm_? -85.41 115.77 23.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 t -67.67 134.06 50.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 74.1 m -132.28 120.95 22.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 108.325 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.1 mmm -91.92 119.35 31.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 mp -98.54 146.65 25.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 67.6 m -144.42 123.88 13.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.43 -164.44 29.38 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 p -58.35 162.5 5.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.97 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.437 1.756 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -14.2 61.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -91.8 -42.06 10.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.2 t -61.03 -37.25 76.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -49.27 43.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.239 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -57.24 -49.3 76.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.968 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.9 -50.78 72.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.529 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 3.9 mtpm? -47.43 -51.81 18.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -51.04 -43.74 60.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.416 ' CB ' HG22 ' A' ' 40' ' ' ILE . 45.3 mt -64.08 -44.3 92.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.4 -61.79 2.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' GLN . 4.1 t0 -46.87 -54.95 8.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -38.6 -61.87 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.41 ' CD1' HD13 ' A' ' 40' ' ' ILE . 42.6 mt -40.53 -56.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.465 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 97.1 t -52.72 -57.44 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -51.6 -52.75 44.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -24.19 32.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -125.08 54.0 0.76 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -106.24 79.14 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 110.251 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.6 t -150.33 -65.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 173.11 -151.2 13.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.88 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.33 165.96 12.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.47 135.87 47.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -179.1 119.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 p -144.5 97.59 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.11 134.79 5.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -178.79 150.67 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -158.24 159.66 36.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.93 -173.17 24.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -122.09 167.44 13.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.76 . . . . 0.0 109.588 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.52 130.1 5.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.26 123.34 28.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.256 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -143.58 104.25 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -179.42 162.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.96 155.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 15' ' ' MET . 87.6 t -134.46 145.21 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.423 ' N ' HG13 ' A' ' 14' ' ' VAL . 3.6 ppp? -140.86 161.98 36.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.5 m -116.13 125.57 52.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -122.72 169.36 11.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -122.34 101.01 7.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -109.93 112.95 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.87 144.71 26.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 m -136.85 159.77 68.9 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.425 ' CD ' HG23 ' A' ' 82' ' ' VAL . 18.4 Cg_endo -75.01 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -51.79 -27.19 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.82 -8.56 57.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 28' ' ' PHE . 99.1 mmm -121.47 -38.15 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.494 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 1.4 p -44.09 -49.75 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.492 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -48.48 -30.72 8.57 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.431 1.082 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -94.28 -21.8 18.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.962 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.427 HG12 ' CG2' ' A' ' 81' ' ' ILE . 5.1 mt -64.89 -41.38 92.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 26' ' ' VAL . 1.2 mp -56.52 -61.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.37 175.86 49.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.59 115.1 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 56.54 27.88 55.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 64.46 43.3 96.89 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -90.65 -33.97 15.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -58.36 -37.35 75.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 40' ' ' ILE . 7.7 tp -79.68 -43.34 23.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -44.13 -46.73 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -35.95 77.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 37' ' ' ILE . 35.4 mt -73.48 -36.58 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -70.55 -35.17 72.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -83.7 -37.38 22.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -55.55 -56.55 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.3 p -87.45 -19.11 28.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.67 26.25 73.37 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -109.7 155.38 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -87.36 144.84 26.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.5 mt -135.97 105.55 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -104.11 99.89 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 6.3 mt -97.05 127.88 48.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.544 ' CB ' ' CZ ' ' A' ' 60' ' ' ARG . . . -69.84 160.67 79.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -42.12 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.479 1.778 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 2.3 t0 -124.58 152.57 43.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.435 ' HA ' ' NH1' ' A' ' 60' ' ' ARG . 4.6 p -116.93 24.4 11.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.3 11.09 38.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.59 16.51 48.82 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' N ' HD21 ' A' ' 57' ' ' LEU . 3.9 mm? -71.7 155.27 92.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -8.87 20.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -140.57 133.96 29.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.244 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.544 ' CZ ' ' CB ' ' A' ' 51' ' ' ALA . 1.6 tpt180 -86.65 127.84 34.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.449 ' O ' ' NE ' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -79.13 112.29 16.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.411 ' SG ' ' CG2' ' A' ' 50' ' ' ILE . 62.4 m -109.26 123.56 49.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 108.289 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.5 mtp -93.93 127.38 39.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mp -107.22 149.53 27.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 49.7 m -144.49 125.49 14.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.412 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.79 -161.71 28.74 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.418 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 43.3 p -61.15 161.86 15.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.74 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.93 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -17.76 64.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.9 m -89.05 -38.7 14.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 67' ' ' THR . 58.4 t -58.87 -45.44 91.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -67.48 -49.06 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -50.92 62.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.09 98.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -52.28 -50.77 61.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -53.36 -43.54 67.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.421 ' CB ' HG23 ' A' ' 40' ' ' ILE . 17.7 mt -63.36 -51.62 65.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 88.1 mt -53.5 -68.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.75 -46.86 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.66 -61.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.427 ' CG2' HG12 ' A' ' 29' ' ' ILE . 57.1 mt -41.45 -58.73 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.427 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 52.9 t -48.07 -59.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -52.84 -55.48 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 110.278 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -26.41 15.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -122.47 62.2 0.55 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.15 80.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 110.259 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.0 p -155.16 158.6 39.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 167.39 -124.48 1.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.45 3.8 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.87 -57.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.79 125.12 25.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -134.33 111.71 10.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 109.968 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 m -133.11 137.59 46.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.002 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.52 155.37 7.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.33 171.43 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -176.06 150.4 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.026 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.83 102.35 0.82 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -134.25 150.52 51.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 109.637 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -122.98 -72.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.46 162.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 53.08 101.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -156.14 117.68 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 m -68.45 171.03 7.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 15' ' ' MET . 97.9 t -121.09 146.07 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.401 ' N ' HG12 ' A' ' 14' ' ' VAL . 4.4 ptm -126.04 162.09 26.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.5 m -119.16 132.56 55.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 8.8 tp10 -129.6 146.48 51.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 13.9 tt0 -105.96 99.08 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.457 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 22.6 t80 -104.07 119.89 39.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -94.78 130.04 41.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.25 163.12 33.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.32 3.53 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.767 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.91 -32.48 20.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.63 -10.63 45.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.8 mmm -120.0 -38.66 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.753 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -43.31 -49.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.488 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -48.5 -32.89 10.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CE2' HG22 ' A' ' 81' ' ' ILE . 1.4 t80 -91.27 -21.55 21.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.8 mt -67.29 -31.24 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.483 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 2.8 mt -62.31 -59.41 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.09 -175.84 32.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.57 95.3 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.84 16.46 65.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.53 39.76 40.84 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -93.2 -26.89 17.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -66.31 -32.17 73.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 40' ' ' ILE . 7.6 tp -83.68 -44.99 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.36 -50.1 6.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.89 -35.22 68.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.46 HG22 ' CB ' ' A' ' 77' ' ' LEU . 51.1 mt -72.99 -38.97 57.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -70.28 -32.73 70.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -84.61 -33.71 23.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.75 -54.5 44.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.249 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.0 p -89.3 -16.53 30.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.983 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.09 20.66 78.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.37 156.2 18.76 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.19 145.37 25.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.9 mt -135.56 105.15 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -101.54 101.21 11.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.5 mt -99.84 124.28 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.504 ' CB ' ' CZ ' ' A' ' 60' ' ' ARG . . . -66.15 152.45 93.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -62.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -91.04 109.09 20.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 p -87.47 12.51 12.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.48 10.58 43.79 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.45 -4.14 82.58 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.64 165.3 0.13 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -27.13 10.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.781 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -138.33 127.83 24.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.504 ' CZ ' ' CB ' ' A' ' 51' ' ' ALA . 1.6 tpt180 -85.28 134.61 34.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.448 ' O ' ' NE ' ' A' ' 60' ' ' ARG . 3.0 t -77.09 128.48 34.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 58.5 m -122.7 107.26 11.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.315 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 97.6 mmm -78.99 116.61 19.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mp -96.37 151.97 19.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 62.5 m -144.35 128.92 18.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.66 -168.72 25.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.6 p -54.31 161.9 1.81 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.766 . . . . 0.0 110.402 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -37.03 2.21 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -21.52 62.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 m -83.36 -39.93 20.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 75' ' ' LYS . 12.3 t -60.41 -42.97 92.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.41 -53.04 48.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.1 m -53.29 -50.17 65.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.968 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.34 83.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.457 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 13.9 mtpt -49.52 -56.11 11.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -47.21 -47.64 24.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.46 ' CB ' HG22 ' A' ' 40' ' ' ILE . 35.9 mt -57.21 -41.78 80.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' A' ' 80' ' ' GLN . 66.1 mt -64.75 -68.36 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -43.08 -29.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -62.41 -66.07 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.569 HG22 ' CE2' ' A' ' 28' ' ' PHE . 75.1 mt -42.19 -47.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.4 t -58.77 -57.19 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -49.15 71.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -46.65 -34.66 5.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -126.23 65.05 0.57 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.34 72.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 0.801 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 m -85.91 -65.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.78 -172.78 22.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 91.05 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.3 t -105.16 143.45 33.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.33 103.92 5.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -171.92 -58.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 0.764 . . . . 0.0 109.956 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -114.69 167.03 11.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.04 -121.2 2.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.51 90.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -172.6 142.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.84 124.6 0.72 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.45 117.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 109.619 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -146.6 173.39 12.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -137.7 159.24 42.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -154.46 105.07 2.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.53 176.3 5.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 m 60.72 167.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.03 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.43 HG12 ' CA ' ' A' ' 66' ' ' GLY . 89.2 t -137.2 151.16 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ptm -131.12 160.77 33.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.2 m -111.82 154.03 25.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 18' ' ' GLU . 8.7 tt0 -151.22 138.37 19.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 29.0 tt0 -97.67 97.75 9.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 67.2 t80 -99.74 122.55 42.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -89.61 155.05 19.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -153.59 162.57 26.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.82 5.05 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.76 -18.94 24.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.51 -6.61 86.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.466 ' O ' ' N ' ' A' ' 28' ' ' PHE . 95.4 mmm -123.64 -41.68 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 0.751 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 2.2 p -42.32 -50.17 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -49.09 -34.53 16.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.584 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -87.01 -25.11 24.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 111.0 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.429 HG12 ' CG2' ' A' ' 81' ' ' ILE . 3.8 mt -66.09 -25.97 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.455 ' CG2' ' HA2' ' A' ' 34' ' ' GLY . 55.3 mt -61.83 -60.36 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.42 165.49 21.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.412 1.07 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -41.2 -53.73 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.91 41.44 1.79 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.448 1.092 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.455 ' HA2' ' CG2' ' A' ' 30' ' ' ILE . . . 58.27 23.42 53.12 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.15 -34.24 20.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.272 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -48.67 -46.16 39.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 40' ' ' ILE . 10.0 tp -69.46 -48.15 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.5 t -43.59 -50.24 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.003 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -35.53 61.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' ILE . 38.8 mt -72.78 -36.41 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.424 ' HG2' ' CD1' ' A' ' 48' ' ' ILE . 72.1 mt-30 -70.68 -37.14 73.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -80.76 -29.59 36.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -70.08 -48.65 56.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.44 ' OG ' ' CB ' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -92.55 -6.26 50.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.016 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.2 34.75 59.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.51 154.03 37.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -82.9 144.24 30.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.424 ' CD1' ' HG2' ' A' ' 41' ' ' GLN . 46.4 mt -137.18 102.89 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -103.43 100.13 9.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.4 mt -99.35 135.28 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.364 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.505 ' CB ' ' NH1' ' A' ' 60' ' ' ARG . . . -65.78 154.71 88.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -52.04 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.06 111.24 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.425 ' HA ' ' NE ' ' A' ' 60' ' ' ARG . 69.9 p -50.46 -28.46 8.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.8 -75.78 0.82 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.26 33.6 0.11 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -105.12 154.57 38.7 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -30.0 7.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -120.53 137.82 54.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.505 ' NH1' ' CB ' ' A' ' 51' ' ' ALA . 3.0 tpm_? -86.05 135.08 33.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 32.2 t -89.55 127.76 35.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.7 m -123.78 106.77 10.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 108.295 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.5 mtp -75.13 114.41 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -98.4 146.1 26.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.3 m -144.46 125.48 14.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' CA ' HG12 ' A' ' 14' ' ' VAL . . . 149.72 -162.09 29.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.5 p -57.8 161.99 5.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.411 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.89 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -25.29 64.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.4 m -80.89 -35.1 32.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.2 t -60.88 -39.28 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -49.74 18.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.9 m -50.38 -52.39 37.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.042 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.44 ' CB ' ' OG ' ' A' ' 44' ' ' SER . . . -58.27 -49.52 76.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.567 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 1.7 mtpm? -48.04 -51.17 25.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 mmm-85 -51.57 -37.53 50.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.2 mt -70.72 -47.71 58.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 94.7 mt -58.25 -65.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -45.5 -48.76 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.59 -60.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.429 ' CG2' HG12 ' A' ' 29' ' ' ILE . 27.2 mt -46.57 -47.66 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.45 -58.76 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.76 -43.14 47.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -49.36 77.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -111.71 67.84 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.02 83.24 5.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.14 143.95 51.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.977 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.66 92.7 0.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -46.63 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.6 p -50.81 161.66 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.7 m 61.49 167.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.8 ptm . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.525 0.202 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.3 m -111.58 135.57 51.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -128.55 146.77 50.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -108.93 109.28 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.55 ' HB2' HD11 ' A' ' 64' ' ' LEU . 21.6 t80 -116.68 131.34 56.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -101.86 139.28 37.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 4.2 m -132.58 159.51 72.15 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.84 5.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -52.16 -24.61 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.08 -0.39 60.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.3 mmm -127.57 -43.04 1.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 0.742 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.5 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.3 p -44.16 -49.76 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.482 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -49.64 -29.82 12.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.571 1.169 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.608 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -94.47 -20.55 19.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.788 . . . . 0.0 110.985 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.766 HG12 HG21 ' A' ' 81' ' ' ILE . 9.9 mt -65.86 -42.71 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.5 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.2 mp -54.02 -58.11 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -63.2 -37.56 87.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.451 HD13 ' HG3' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -80.63 -37.19 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -42.91 69.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -32.24 71.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.751 HD11 HD11 ' A' ' 81' ' ' ILE . 23.1 mt -76.41 -37.85 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HG3' HD13 ' A' ' 37' ' ' ILE . 33.1 mt-30 -70.93 -32.27 69.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.259 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -85.84 -27.04 25.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.82 -48.85 51.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.252 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.63 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 9.3 p -93.45 -8.75 40.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.3 27.02 62.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 158.42 18.64 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.96 144.3 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.683 HG12 HD23 ' A' ' 64' ' ' LEU . 44.0 mt -136.66 105.5 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.74 100.14 11.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.0 mt -95.14 137.2 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.9 mp0 -118.05 137.84 52.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.402 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -95.76 119.04 33.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.8 t -67.52 143.5 56.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.9 m -132.27 113.96 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 108.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.16 114.89 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.683 HD23 HG12 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -99.66 145.82 27.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.8 m -144.52 129.54 18.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.36 -166.62 26.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.633 ' O ' HG23 ' A' ' 71' ' ' VAL . 18.0 p -58.15 161.82 6.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.427 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.17 4.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -71.71 -24.24 61.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.4 m -85.21 -36.28 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.02 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 67' ' ' THR . 37.3 t -60.93 -45.7 97.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.17 -51.88 53.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.82 -47.64 42.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.63 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -62.35 -48.65 78.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -48.73 -50.68 32.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -50.94 -40.87 58.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.663 ' CB ' HG23 ' A' ' 40' ' ' ILE . 5.9 mt -65.58 -49.38 69.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.3 mt -55.83 -66.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.41 -41.68 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -58.75 5.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.766 HG21 HG12 ' A' ' 29' ' ' ILE . 67.0 mt -45.81 -51.49 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.2 ptm . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.523 0.201 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.8 m -125.81 123.45 38.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' OE1' ' NZ ' ' A' ' 75' ' ' LYS . 2.1 tt0 -117.87 172.17 7.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -125.38 98.95 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.507 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 38.6 t80 -103.42 122.81 45.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -94.35 143.53 26.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.493 HG21 HG23 ' A' ' 26' ' ' VAL . 17.1 m -138.1 158.65 70.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.98 5.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -29.27 15.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.48 -6.9 51.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' PHE . 96.8 mmm -124.9 -40.19 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.554 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -44.08 -49.92 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.497 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -50.01 -30.19 15.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -94.24 -22.38 18.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.992 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.64 HG12 HG21 ' A' ' 81' ' ' ILE . 4.6 mt -64.2 -41.82 93.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.554 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.2 mp -55.95 -60.23 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -58.7 -34.24 71.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.541 HD11 HD13 ' A' ' 48' ' ' ILE . 8.0 tp -84.56 -38.82 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 t -45.66 -50.8 13.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -37.32 75.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.92 HD11 HD11 ' A' ' 81' ' ' ILE . 37.6 mt -71.67 -38.12 65.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.595 ' HG3' HD12 ' A' ' 48' ' ' ILE . 35.2 mt-30 -69.96 -33.9 72.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -83.58 -31.0 26.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.9 -48.24 63.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 1.042 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -93.51 -2.12 54.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.85 36.06 25.67 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.29 150.45 43.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -86.03 144.32 27.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.595 HD12 ' HG3' ' A' ' 41' ' ' GLN . 20.3 mt -133.65 104.96 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.33 100.12 10.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.599 HG23 ' SG ' ' A' ' 62' ' ' CYS . 7.7 mt -95.03 142.89 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.415 ' O ' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 10.4 mm-40 -131.27 136.49 48.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' NH1' ' O ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -93.18 115.48 28.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.8 t -62.11 132.92 54.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.078 . . . . 0.0 109.954 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.599 ' SG ' HG23 ' A' ' 50' ' ' ILE . 62.9 m -128.04 113.38 15.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 108.311 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.7 mmm -84.05 118.7 24.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 48' ' ' ILE . 1.2 mp -98.93 150.83 21.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.6 m -144.51 131.98 20.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.387 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.12 -169.18 24.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 71' ' ' VAL . 9.4 p -53.62 162.36 1.32 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 110.395 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.24 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.25 -17.87 64.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 m -87.95 -41.36 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 67' ' ' THR . 26.1 t -56.74 -46.79 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -48.67 70.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.9 m -53.97 -48.26 70.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.042 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -61.04 -44.5 97.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 19.6 mtmt -50.42 -53.0 32.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -46.94 -48.96 21.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.645 ' CB ' HG23 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -58.68 -50.51 73.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.485 HD21 ' CD1' ' A' ' 37' ' ' ILE . 30.8 mt -54.42 -69.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 78' ' ' LEU . 12.1 t0 -40.56 -51.17 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -61.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.92 HD11 HD11 ' A' ' 40' ' ' ILE . 97.1 mt -40.57 -63.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.0 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.8 ptm . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.487 0.184 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 m -120.25 135.21 55.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -123.94 168.51 12.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -125.09 100.09 6.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 31.8 t80 -108.2 133.05 53.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -104.91 145.3 30.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 1.5 m -139.99 161.23 57.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.41 4.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.456 ' HA ' HG12 ' A' ' 26' ' ' VAL . 12.7 t70 -52.49 -21.57 3.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.2 4.32 63.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 98.6 mmm -131.31 -45.14 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 0.721 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 27' ' ' GLY . 8.2 p -42.23 -51.79 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.511 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.25 -34.98 6.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.687 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -87.93 -25.06 23.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.981 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.85 HG12 HG21 ' A' ' 81' ' ' ILE . 10.8 mt -63.55 -27.5 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.469 HD12 ' HA2' ' A' ' 27' ' ' GLY . 7.5 mt -61.55 -61.34 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -62.82 -34.95 78.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -82.49 -36.56 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -55.27 -39.82 70.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -64.63 -34.27 77.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.57 HG23 ' CB ' ' A' ' 77' ' ' LEU . 34.4 mt -72.05 -39.62 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.62 ' CG ' HD12 ' A' ' 48' ' ' ILE . 28.5 mt-30 -71.0 -34.14 71.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -85.41 -23.88 27.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 3.2 mm-40 -72.02 -49.06 40.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.624 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 12.3 p -95.03 -9.56 33.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.77 26.6 67.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -109.94 157.03 19.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -86.99 142.57 27.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.62 HD12 ' CG ' ' A' ' 41' ' ' GLN . 37.9 mt -135.0 108.08 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -105.71 100.14 9.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.9 mt -95.91 140.66 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.7 OUTLIER -134.16 133.64 41.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.84 113.03 25.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.8 t -63.58 142.52 58.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 36.5 m -130.25 119.75 23.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.267 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -83.53 115.28 22.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.449 HD11 ' CB ' ' A' ' 19' ' ' TYR . 1.4 mp -100.95 144.16 30.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.5 m -144.13 125.06 14.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.19 -163.25 28.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.557 1.161 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 71' ' ' VAL . 5.6 p -57.6 162.58 4.64 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 110.436 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -41.19 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.11 -29.94 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.2 m -76.58 -33.93 58.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 67' ' ' THR . 22.0 t -64.46 -44.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -64.79 -54.71 26.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.8 m -47.78 -55.77 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.624 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -52.02 -51.53 56.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -46.23 -56.84 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -46.68 -47.86 20.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.57 ' CB ' HG23 ' A' ' 40' ' ' ILE . 25.7 mt -58.93 -43.54 91.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.518 HD23 HD13 ' A' ' 40' ' ' ILE . 93.9 mt -63.17 -61.36 2.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' GLN . 24.0 t0 -47.84 -50.92 24.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -38.87 -61.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.85 HG21 HG12 ' A' ' 29' ' ' ILE . 34.3 mt -42.32 -53.9 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.449 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 50.3 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.402 ' SD ' HG21 ' A' ' 71' ' ' VAL . 4.2 ppp? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.484 0.183 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.4 m -119.89 130.42 54.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -121.92 174.43 6.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -129.47 105.89 8.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CD1' ' HD3' ' A' ' 75' ' ' LYS . 21.6 t80 -113.28 119.96 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.82 130.66 39.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 60' ' ' ARG . 14.3 m -122.34 159.05 54.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 114.7 4.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.425 ' HA ' HG12 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -52.21 -21.62 3.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.11 62.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.423 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 95.5 mmm -134.6 -43.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.493 ' O ' HD12 ' A' ' 30' ' ' ILE . 3.4 p -43.49 -48.92 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.5 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.95 -30.87 5.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -94.17 -24.55 17.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 110.982 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.523 HG22 HD12 ' A' ' 37' ' ' ILE . 48.4 mt -63.08 -37.96 80.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.5 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.4 mp -58.15 -62.47 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -60.72 -40.32 91.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.523 HD12 HG22 ' A' ' 29' ' ' ILE . 1.0 OUTLIER -77.56 -46.87 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -42.02 -43.52 3.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -42.04 99.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.931 HD11 HD11 ' A' ' 81' ' ' ILE . 53.0 mt -64.74 -40.38 88.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.633 ' CG ' HD12 ' A' ' 48' ' ' ILE . 56.8 mt-30 -69.17 -35.75 76.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -78.7 -34.05 46.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.95 -46.17 72.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.876 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -91.53 -16.23 27.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' GLN . . . 62.73 36.72 93.7 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.83 158.11 32.57 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -89.14 141.96 28.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.633 HD12 ' CG ' ' A' ' 41' ' ' GLN . 46.6 mt -133.54 101.35 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -97.58 99.99 11.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.809 HG23 ' SG ' ' A' ' 62' ' ' CYS . 3.4 mt -98.61 127.45 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -136.23 138.67 42.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.478 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -104.13 124.36 48.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.1 t -72.53 138.84 47.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.809 ' SG ' HG23 ' A' ' 50' ' ' ILE . 96.7 m -130.75 106.96 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 108.248 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.39 119.31 19.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.8 mp -102.05 149.99 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.4 m -144.38 129.32 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.415 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.66 -152.12 24.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 71' ' ' VAL . 3.0 p -77.57 164.07 60.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 67' ' ' THR . 18.2 Cg_endo -75.03 -22.65 14.54 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.76 -30.24 45.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.4 m -82.94 -38.63 22.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.772 HG12 ' HE2' ' A' ' 75' ' ' LYS . 41.8 t -58.33 -44.72 88.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -66.81 -54.27 24.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.8 m -48.81 -55.68 10.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.876 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -52.9 -52.54 57.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.772 ' HE2' HG12 ' A' ' 71' ' ' VAL . 20.1 mtmt -44.76 -54.87 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -47.92 -49.96 28.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.614 ' CB ' HG23 ' A' ' 40' ' ' ILE . 12.5 mt -56.48 -46.86 80.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.53 -68.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -40.57 -47.58 2.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -66.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.931 HD11 HD11 ' A' ' 40' ' ' ILE . 51.5 mt -41.72 -56.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.423 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 84.7 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.5 ' SD ' HG21 ' A' ' 71' ' ' VAL . 4.2 ppp? . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.477 0.18 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.0 m -114.71 133.99 55.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 9.2 tp10 -131.25 146.17 52.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 13.5 tt0 -110.4 98.4 7.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.458 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 41.4 t80 -101.13 124.47 46.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -92.36 139.6 30.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 60' ' ' ARG . 29.5 m -135.29 158.01 75.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 114.01 3.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.38 -26.49 7.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.91 -7.68 56.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.1 mmm -123.39 -39.88 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.798 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -44.76 -47.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.158 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -50.88 -29.22 19.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.63 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -94.3 -21.18 19.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 0.0 110.992 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.738 HG12 HG21 ' A' ' 81' ' ' ILE . 19.0 mt -65.58 -36.47 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.476 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.6 mt -58.42 -56.09 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -77.55 -33.68 54.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.89 HD13 ' O ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -81.37 -33.88 12.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -55.0 -51.29 66.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -35.9 62.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.582 HG23 ' CB ' ' A' ' 77' ' ' LEU . 48.5 mt -68.75 -40.87 82.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.593 ' CG ' HD12 ' A' ' 48' ' ' ILE . 35.9 mt-30 -69.84 -36.75 75.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -78.94 -29.55 44.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.75 -53.02 37.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.885 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 6.8 p -91.39 -8.02 49.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.72 27.61 61.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.19 155.14 22.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -87.15 144.22 26.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.593 HD12 ' CG ' ' A' ' 41' ' ' GLN . 40.7 mt -136.49 105.83 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -100.74 100.13 10.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.713 HG23 ' SG ' ' A' ' 62' ' ' CYS . 4.9 mt -96.93 138.26 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.446 ' O ' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -131.88 133.32 44.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.483 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -95.01 115.77 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 t -63.19 141.65 58.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.713 ' SG ' HG23 ' A' ' 50' ' ' ILE . 89.6 m -132.31 109.45 9.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 108.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 mtp -77.61 116.06 17.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.464 HD23 HG12 ' A' ' 48' ' ' ILE . 1.4 mp -102.51 146.89 27.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.0 m -144.44 126.92 15.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.94 -170.97 27.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.932 ' O ' HG23 ' A' ' 71' ' ' VAL . 26.3 p -49.86 162.02 0.5 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 110.411 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -36.06 2.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -23.13 61.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.5 m -80.11 -42.53 23.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 67' ' ' THR . 48.9 t -55.75 -45.48 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.47 -52.71 50.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.5 m -49.38 -55.37 13.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.885 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.27 -44.68 88.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.458 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 11.7 mtmt -48.65 -51.25 29.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -52.34 -54.37 32.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.582 ' CB ' HG23 ' A' ' 40' ' ' ILE . 13.5 mt -49.92 -47.41 52.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.448 HD23 HD13 ' A' ' 40' ' ' ILE . 95.9 mt -57.36 -70.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -40.83 -51.63 3.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.77 -64.35 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.738 HG21 HG12 ' A' ' 29' ' ' ILE . 35.1 mt -41.95 -58.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.9 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.4 ptm . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.46 0.171 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.2 m -124.53 138.2 54.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 6.2 tp10 -130.91 145.69 52.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 20.1 tt0 -103.98 106.83 17.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.551 ' CD1' ' HE2' ' A' ' 75' ' ' LYS . 36.2 t80 -114.94 125.96 54.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -96.22 150.31 20.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -144.15 161.2 46.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.12 5.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.81 -21.04 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.18 -2.61 83.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.502 ' HE2' ' HA ' ' A' ' 82' ' ' VAL . 96.9 mmm -125.31 -45.21 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.608 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.9 p -43.7 -49.8 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.496 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.37 -31.7 4.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -94.25 -22.93 18.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.992 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.876 HG12 HG21 ' A' ' 81' ' ' ILE . 8.7 mt -64.93 -35.94 76.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.5 mp -60.77 -58.83 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -59.98 -38.84 83.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.505 HD12 HD12 ' A' ' 40' ' ' ILE . 5.8 tp -78.56 -45.41 25.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.2 t -44.44 -44.0 8.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -36.31 80.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.758 HG23 ' CB ' ' A' ' 77' ' ' LEU . 32.5 mt -73.16 -36.36 49.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.608 ' CG ' HD12 ' A' ' 48' ' ' ILE . 49.2 mt-30 -70.46 -35.38 73.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -83.28 -28.87 28.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.43 -45.28 60.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.732 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -99.03 2.51 46.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 45.0 32.83 3.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.505 ' CB ' ' HB2' ' A' ' 70' ' ' SER . 2.8 t -114.03 156.41 24.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -90.94 138.81 31.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.608 HD12 ' CG ' ' A' ' 41' ' ' GLN . 13.1 mt -133.21 112.62 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -113.34 99.98 8.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.57 HG23 ' SG ' ' A' ' 62' ' ' CYS . 2.9 mt -95.74 135.62 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -109.84 136.18 49.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.457 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 0.4 OUTLIER -92.32 117.65 30.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.1 t -66.14 140.31 58.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.57 ' SG ' HG23 ' A' ' 50' ' ' ILE . 57.6 m -127.91 106.14 8.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 108.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 96.8 mmm -78.75 115.79 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mp -96.9 150.31 20.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.8 m -137.2 121.24 17.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.384 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.72 -147.56 17.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.83 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.0 OUTLIER -88.2 175.54 4.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 110.409 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.56 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 70' ' ' SER . 4.3 pt-20 -62.46 -35.74 80.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.505 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 19.5 p -75.52 -45.81 35.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 67' ' ' THR . 73.1 t -59.13 -45.53 92.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -60.75 -57.9 10.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.405 ' CB ' ' HB2' ' A' ' 44' ' ' SER . 72.6 m -48.24 -58.16 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.732 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -48.48 -53.38 18.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 19' ' ' TYR . 1.2 mtpm? -45.14 -57.69 3.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' O ' ' CD ' ' A' ' 80' ' ' GLN . 18.1 mmt180 -45.68 -46.36 14.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.758 ' CB ' HG23 ' A' ' 40' ' ' ILE . 73.5 mt -62.22 -51.6 67.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.617 HD23 HD13 ' A' ' 40' ' ' ILE . 85.1 mt -56.64 -46.89 80.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 80' ' ' GLN . 6.0 t0 -61.25 -53.0 62.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -38.34 -45.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.876 HG21 HG12 ' A' ' 29' ' ' ILE . 57.5 mt -57.16 -53.15 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.502 ' HA ' ' HE2' ' A' ' 25' ' ' MET . 47.0 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ptm . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.498 0.19 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.5 m -117.99 145.51 44.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -134.9 164.55 27.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -118.37 112.75 20.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.512 ' CD1' ' HE2' ' A' ' 75' ' ' LYS . 25.4 t80 -123.84 122.36 37.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -95.07 140.79 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 60' ' ' ARG . 3.1 m -130.37 160.25 66.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.409 ' HG3' ' CG1' ' A' ' 82' ' ' VAL . 18.3 Cg_endo -74.98 122.26 7.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.571 ' HA ' HG12 ' A' ' 26' ' ' VAL . 1.5 t0 -57.22 -18.15 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.03 7.95 68.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.2 mmm -135.65 -44.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 23' ' ' ASP . 14.6 p -42.28 -53.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.54 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.37 -34.93 6.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.697 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -87.59 -26.32 23.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 111.009 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.802 HG22 ' CD1' ' A' ' 37' ' ' ILE . 3.3 mt -63.27 -28.34 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 21.0 mt -60.84 -62.22 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -56.18 -44.61 79.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.802 ' CD1' HG22 ' A' ' 29' ' ' ILE . 2.8 tp -69.47 -49.2 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.421 ' N ' HG23 ' A' ' 37' ' ' ILE . 10.5 t -45.24 -46.57 12.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.74 -33.27 60.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.665 HG23 ' CB ' ' A' ' 77' ' ' LEU . 22.7 mt -76.73 -35.09 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.634 ' CG ' HD12 ' A' ' 48' ' ' ILE . 65.8 mt-30 -71.27 -35.1 71.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -82.45 -28.49 31.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.46 -46.21 55.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 1.036 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -95.6 -3.52 46.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 50.01 36.88 28.46 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.37 157.38 31.96 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -87.15 141.88 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.634 HD12 ' CG ' ' A' ' 41' ' ' GLN . 31.5 mt -134.42 102.56 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -101.68 101.64 12.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.1 mt -98.8 124.81 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.912 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -124.86 138.61 54.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.912 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.0 tpm_? -91.94 128.14 37.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.416 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 12.6 t -78.44 141.02 38.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.9 m -132.31 108.72 9.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.258 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -77.67 114.55 16.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 1.7 mp -98.34 147.88 24.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 91.6 m -144.16 134.58 24.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.339 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.48 -163.66 25.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.833 ' O ' HG23 ' A' ' 71' ' ' VAL . 60.6 p -57.4 161.38 5.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -38.6 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.59 -16.0 63.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.2 m -90.84 -39.43 12.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.039 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 67' ' ' THR . 85.5 t -57.68 -42.08 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -54.61 10.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.4 m -46.83 -50.92 17.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.036 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -59.43 -49.41 77.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.512 ' HE2' ' CD1' ' A' ' 19' ' ' TYR . 4.1 mtpm? -48.38 -52.12 23.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.03 -45.05 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.665 ' CB ' HG23 ' A' ' 40' ' ' ILE . 14.6 mt -62.62 -45.03 94.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.488 HD23 HD13 ' A' ' 40' ' ' ILE . 85.6 mt -61.35 -66.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -44.74 -44.44 9.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -45.8 -65.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.697 HG23 ' CE2' ' A' ' 28' ' ' PHE . 46.2 mt -42.07 -50.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.409 ' CG1' ' HG3' ' A' ' 22' ' ' PRO . 73.0 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ptm . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.464 0.173 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.5 m -116.08 135.64 53.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.452 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.0 tp10 -125.83 147.04 49.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 15.3 tt0 -108.97 100.88 10.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.493 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 28.0 t80 -109.02 125.06 51.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -98.24 134.39 41.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' ARG . 11.9 m -124.67 159.26 59.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.471 ' HA ' HG12 ' A' ' 26' ' ' VAL . 11.4 t70 -53.59 -21.06 5.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.76 -2.17 85.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.459 ' CB ' HG22 ' A' ' 82' ' ' VAL . 97.6 mmm -127.08 -39.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.706 ' O ' HD12 ' A' ' 30' ' ' ILE . 9.8 p -42.5 -52.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.531 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.21 -33.66 5.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.603 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -90.97 -22.75 20.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.6 HG12 HG21 ' A' ' 81' ' ' ILE . 5.1 mt -63.83 -47.34 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.7 mp -47.96 -61.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.57 -44.29 85.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.572 HD13 HG22 ' A' ' 29' ' ' ILE . 3.8 tp -74.58 -40.77 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.82 -50.84 24.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.95 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -33.05 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.557 HG23 ' CB ' ' A' ' 77' ' ' LEU . 37.1 mt -75.52 -38.08 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.467 ' CG ' HD12 ' A' ' 48' ' ' ILE . 42.2 mt-30 -69.69 -34.3 73.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -84.15 -35.54 23.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.22 -55.25 37.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.768 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 96.2 p -87.37 -19.95 27.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.19 22.3 79.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.563 1.164 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.64 158.43 16.71 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.85 143.67 26.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.486 HG12 HD23 ' A' ' 64' ' ' LEU . 25.9 mt -134.75 102.96 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.71 100.71 11.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.675 HG23 ' SG ' ' A' ' 62' ' ' CYS . 5.4 mt -96.28 123.22 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.932 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 2.2 mp0 -110.06 140.26 44.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.932 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 4.0 tpm_? -87.8 124.83 34.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.6 t -73.17 128.76 36.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.675 ' SG ' HG23 ' A' ' 50' ' ' ILE . 94.8 m -122.79 109.3 14.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.37 114.64 16.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD23 HG12 ' A' ' 48' ' ' ILE . 1.2 mp -98.39 146.12 26.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 m -144.41 134.48 24.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.05 -166.14 25.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 71' ' ' VAL . 71.3 p -55.55 161.3 3.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.527 0.781 . . . . 0.0 110.405 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -31.98 5.78 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.94 -22.16 56.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.6 m -84.55 -34.38 23.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 67' ' ' THR . 13.0 t -61.99 -42.46 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -69.18 -56.51 7.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.9 m -47.23 -54.06 11.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.768 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -55.13 -51.52 66.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.493 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 2.7 mtpm? -45.98 -53.36 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -49.99 -49.51 50.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.557 ' CB ' HG23 ' A' ' 40' ' ' ILE . 42.2 mt -57.95 -40.23 80.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.44 HD23 HD13 ' A' ' 40' ' ' ILE . 83.8 mt -64.93 -68.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -41.96 -49.86 4.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.36 -60.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.603 HG23 ' CE2' ' A' ' 28' ' ' PHE . 53.8 mt -42.71 -61.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.459 HG22 ' CB ' ' A' ' 25' ' ' MET . 54.9 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ptm . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.507 0.194 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.5 m -116.87 143.23 45.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.4 tp10 -136.14 145.28 45.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 6.7 tt0 -109.36 108.18 18.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.587 ' HB2' HD11 ' A' ' 64' ' ' LEU . 21.4 t80 -111.33 121.56 45.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.45 132.13 38.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 2.1 m -128.14 160.42 61.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.431 ' HG2' ' CG ' ' A' ' 25' ' ' MET . 18.4 Cg_endo -74.92 119.71 5.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -53.19 -24.44 10.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.13 -3.19 68.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.0 mmm -124.57 -40.27 2.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.599 ' O ' HD12 ' A' ' 30' ' ' ILE . 4.4 p -43.99 -50.79 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -48.71 -30.35 8.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.464 1.102 . . . . 0.0 110.976 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.725 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.1 t80 -94.29 -20.78 19.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 0.769 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.783 HG12 HG21 ' A' ' 81' ' ' ILE . 7.1 mt -65.58 -40.61 88.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -57.36 -62.42 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.74 -33.45 66.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.54 HD13 HG22 ' A' ' 29' ' ' ILE . 5.0 tp -82.52 -33.35 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.1 t -51.96 -57.48 9.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.69 -33.12 21.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.795 HD11 HD11 ' A' ' 81' ' ' ILE . 36.3 mt -74.77 -38.64 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.647 ' CG ' HD12 ' A' ' 48' ' ' ILE . 37.8 mt-30 -69.37 -34.29 74.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -82.19 -36.65 27.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.16 -55.6 32.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.727 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 87.8 p -87.28 -17.93 31.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.59 27.01 74.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -109.36 158.38 17.97 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -90.79 141.8 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.647 HD12 ' CG ' ' A' ' 41' ' ' GLN . 18.5 mt -132.86 106.15 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.19 102.74 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.647 HG23 ' SG ' ' A' ' 62' ' ' CYS . 3.9 mt -99.2 137.69 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.715 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.7 OUTLIER -94.94 134.74 37.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.715 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.0 tpm_? -88.61 123.8 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.433 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 11.8 t -72.72 138.08 46.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.647 ' SG ' HG23 ' A' ' 50' ' ' ILE . 59.8 m -129.31 115.32 17.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 108.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.6 mtp -83.22 116.43 22.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.587 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -97.86 148.78 23.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.8 m -144.26 128.47 17.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.375 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.27 -166.36 26.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.968 ' O ' HG23 ' A' ' 71' ' ' VAL . 8.4 p -57.37 162.62 4.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 110.415 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -35.53 3.05 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -70.48 -24.06 62.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 m -85.13 -33.69 22.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.042 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 67' ' ' THR . 80.3 t -61.91 -48.81 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -63.97 -52.54 59.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.73 -56.38 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.727 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -54.86 -50.66 68.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.559 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 4.5 mtpt -47.01 -53.49 12.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -49.38 -47.25 47.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.528 ' CB ' HG23 ' A' ' 40' ' ' ILE . 18.7 mt -62.57 -47.35 84.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.511 HD21 ' CD1' ' A' ' 37' ' ' ILE . 94.7 mt -56.87 -67.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -40.91 -46.78 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.19 -58.3 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.795 HD11 HD11 ' A' ' 40' ' ' ILE . 75.8 mt -41.19 -62.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.426 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 61.5 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ptm . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.479 0.181 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.1 m -110.28 150.39 28.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.6 tp10 -141.44 146.05 36.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 5.6 tt0 -110.36 107.71 17.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.566 ' HB2' HD11 ' A' ' 64' ' ' LEU . 20.3 t80 -115.37 125.47 53.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.35 134.25 42.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 60' ' ' ARG . 4.9 m -125.56 159.42 60.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.94 5.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.449 ' HA ' HG12 ' A' ' 26' ' ' VAL . 1.5 t70 -53.2 -22.91 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.06 -2.69 79.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.5 mmm -125.9 -40.38 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.695 ' O ' HD12 ' A' ' 30' ' ' ILE . 6.3 p -43.38 -51.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.503 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -47.93 -31.09 7.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.602 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.1 t80 -93.44 -20.76 20.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.745 HG12 HG21 ' A' ' 81' ' ' ILE . 7.9 mt -65.72 -41.94 91.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.695 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.9 mp -53.5 -57.18 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -75.28 -34.15 61.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.575 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.4 tp -76.62 -46.17 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -44.2 -56.97 3.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -48.21 -31.95 6.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 110.245 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.74 HD11 HD11 ' A' ' 81' ' ' ILE . 33.3 mt -77.36 -38.63 27.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.655 ' CG ' HD12 ' A' ' 48' ' ' ILE . 64.7 mt-30 -68.58 -32.88 73.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -84.69 -38.78 19.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.01 -57.07 13.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.75 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 95.0 p -86.18 -19.9 29.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.954 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.94 25.1 75.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.74 157.63 17.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 9.3 tttp -88.01 142.53 27.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.655 HD12 ' CG ' ' A' ' 41' ' ' GLN . 21.8 mt -134.26 104.14 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -103.98 100.15 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.72 HG23 ' SG ' ' A' ' 62' ' ' CYS . 5.7 mt -94.11 126.7 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.941 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -129.73 135.41 48.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.941 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 4.2 tpm_? -87.9 124.78 34.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -74.94 135.82 41.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.72 ' SG ' HG23 ' A' ' 50' ' ' ILE . 75.0 m -130.67 104.4 7.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.2 mmm -76.88 118.36 19.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.6 mp -99.77 150.53 22.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.6 m -144.51 126.92 15.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.6 -165.26 28.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.707 ' O ' HG23 ' A' ' 71' ' ' VAL . 38.7 p -57.14 161.82 4.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.24 3.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.802 . . . . 0.0 111.047 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.75 -19.81 61.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 110.241 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.9 m -87.6 -35.23 18.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.036 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 67' ' ' THR . 48.4 t -60.62 -46.76 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -66.49 -52.64 43.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.13 -48.57 23.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.75 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -62.93 -48.24 79.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.538 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 5.1 mtpm? -51.18 -49.44 60.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -53.23 -34.92 59.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.525 ' CB ' HG23 ' A' ' 40' ' ' ILE . 13.6 mt -75.43 -40.64 57.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 40' ' ' ILE . 87.1 mt -65.75 -62.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.23 -46.22 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -60.25 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.745 HG21 HG12 ' A' ' 29' ' ' ILE . 73.2 mt -41.16 -57.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.414 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 74.8 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 ptm . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.522 0.201 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.3 m -120.01 124.49 46.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -118.83 160.49 21.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -121.07 103.86 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.57 ' HB2' HD11 ' A' ' 64' ' ' LEU . 35.8 t80 -111.78 129.52 56.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -100.27 145.71 27.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' ARG . 3.1 m -136.0 160.31 67.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.407 ' HG2' ' CG ' ' A' ' 25' ' ' MET . 18.3 Cg_endo -74.98 118.63 5.34 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.469 ' HA ' HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -52.45 -22.36 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.83 6.37 62.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.7 mmm -133.61 -43.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 27' ' ' GLY . 9.5 p -43.27 -52.3 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.525 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.05 -30.89 4.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.635 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -94.29 -21.31 19.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.993 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.839 HG12 HG21 ' A' ' 81' ' ' ILE . 10.5 mt -65.94 -33.31 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.491 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.3 mp -64.42 -62.0 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.444 1.09 . . . . 0.0 110.963 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -72.16 -39.73 68.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 48' ' ' ILE . 6.1 tp -77.67 -39.38 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 t -47.21 -53.89 12.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -35.31 59.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.52 HG23 ' HB2' ' A' ' 77' ' ' LEU . 32.2 mt -73.59 -38.05 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.697 ' HG3' HD12 ' A' ' 48' ' ' ILE . 34.3 mt-30 -69.9 -33.7 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -84.62 -37.1 21.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.65 -57.04 13.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.641 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 96.8 p -87.26 -19.27 28.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.73 21.78 79.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -103.19 158.41 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 12.2 ttmm -91.41 140.5 29.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.697 HD12 ' HG3' ' A' ' 41' ' ' GLN . 14.4 mt -131.22 108.8 15.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -108.42 102.58 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.443 HG23 ' SG ' ' A' ' 62' ' ' CYS . 8.3 mt -98.73 136.45 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.807 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 110.986 -0.428 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.3 mp0 -130.88 138.5 49.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.807 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.1 tpm_? -88.28 126.41 35.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 t -78.71 134.05 37.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.965 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.443 ' SG ' HG23 ' A' ' 50' ' ' ILE . 55.6 m -129.35 114.35 16.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 93.9 mmm -85.08 118.63 24.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.2 mp -94.91 148.94 21.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 m -144.45 119.08 9.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.453 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.1 -162.5 30.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 71' ' ' VAL . 3.9 p -60.28 163.15 8.94 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.538 0.787 . . . . 0.0 110.394 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -36.08 2.79 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.53 1.805 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -74.0 -16.1 61.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.0 m -89.26 -34.08 16.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 67' ' ' THR . 55.2 t -63.43 -44.53 98.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -65.8 -55.99 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.29 -50.95 11.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.641 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.36 -55.94 28.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 4.7 mtpp -43.55 -47.84 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -54.77 -40.5 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.52 ' HB2' HG23 ' A' ' 40' ' ' ILE . 31.6 mt -70.08 -53.15 18.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.506 HD23 HD13 ' A' ' 40' ' ' ILE . 90.9 mt -52.48 -63.9 0.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' GLN . 59.1 t0 -43.82 -52.18 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER -38.79 -58.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.839 HG21 HG12 ' A' ' 29' ' ' ILE . 43.0 mt -43.42 -59.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.436 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 99.0 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.9 ptm . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.513 0.197 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.3 m -123.24 139.83 53.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.8 tp10 -130.04 146.48 51.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 16.1 tt0 -105.64 101.94 11.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.619 ' HB2' HD11 ' A' ' 64' ' ' LEU . 12.1 t80 -108.93 123.85 49.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -98.19 135.98 39.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 1.7 m -128.51 161.16 58.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 117.45 4.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.55 -30.81 21.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.21 -9.75 55.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.4 mmm -121.74 -37.69 2.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.594 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.8 p -44.16 -49.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -50.09 -29.92 15.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.593 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.5 t80 -94.27 -21.45 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.724 HG12 HG21 ' A' ' 81' ' ' ILE . 6.6 mt -64.57 -43.1 96.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -53.69 -66.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.161 . . . . 0.0 111.03 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -69.14 -37.43 78.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.481 HD13 HG22 ' A' ' 29' ' ' ILE . 5.2 tp -80.75 -37.12 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.11 -52.89 31.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -53.84 -33.94 57.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.801 HD11 HD11 ' A' ' 81' ' ' ILE . 31.9 mt -74.35 -38.81 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.578 ' CG ' HD12 ' A' ' 48' ' ' ILE . 34.6 mt-30 -70.29 -32.49 70.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -87.1 -31.4 20.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 3.2 mm-40 -62.49 -54.0 46.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.735 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 77.4 p -89.75 -16.38 30.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.76 20.1 77.21 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.34 158.1 16.57 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.62 144.75 25.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.578 HD12 ' CG ' ' A' ' 41' ' ' GLN . 18.7 mt -135.26 106.83 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -104.08 107.6 18.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.479 HG23 ' SG ' ' A' ' 62' ' ' CYS . 8.2 mt -105.2 136.34 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.808 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 2.4 mp0 -121.56 140.25 52.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.808 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.1 tpm_? -87.53 129.9 34.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 t -78.54 127.6 32.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.479 ' SG ' HG23 ' A' ' 50' ' ' ILE . 56.6 m -125.12 115.47 20.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 108.294 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 93.6 mmm -88.56 116.04 26.51 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.8 mp -95.22 152.06 18.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 90.8 m -143.72 124.23 13.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.363 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 147.02 -166.07 28.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 71' ' ' VAL . 42.8 p -56.55 161.31 4.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 110.431 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -34.01 4.11 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.51 -23.7 60.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.5 m -80.86 -38.39 28.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 67' ' ' THR . 42.4 t -61.23 -47.65 92.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -61.2 2.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 m -44.87 -54.72 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.735 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -53.13 -53.95 42.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -44.06 -54.08 5.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -50.25 -43.86 53.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.25 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.509 ' CB ' HG23 ' A' ' 40' ' ' ILE . 51.6 mt -63.26 -38.61 91.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.525 HD23 HD13 ' A' ' 40' ' ' ILE . 96.0 mt -69.84 -66.31 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -41.63 -34.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -59.31 5.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.801 HD11 HD11 ' A' ' 40' ' ' ILE . 86.6 mt -40.32 -54.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.819 ' CE ' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.525 0.202 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -119.2 133.49 55.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 24.8 tp10 -125.48 145.93 49.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 15.7 tt0 -101.57 100.69 11.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.231 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.412 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 23.5 t80 -108.22 121.88 45.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.34 142.99 27.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' ARG . 8.8 m -134.66 159.2 73.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 118.34 5.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.472 ' HA ' HG12 ' A' ' 26' ' ' VAL . 7.6 t0 -52.63 -25.45 10.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.27 -3.44 65.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' PHE . 91.2 mmm -125.74 -39.97 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 27' ' ' GLY . 6.1 p -43.04 -50.93 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.494 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -49.89 -33.08 19.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.672 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -90.48 -22.59 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.707 HG12 HG21 ' A' ' 81' ' ' ILE . 3.8 mt -63.71 -42.07 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.2 mt -56.92 -72.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -73.45 -36.84 65.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.253 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.696 HD13 HG22 ' A' ' 29' ' ' ILE . 3.3 tp -80.61 -36.0 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.9 t -52.81 -53.73 44.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -52.07 -31.26 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.707 HG23 ' HB2' ' A' ' 77' ' ' LEU . 29.5 mt -76.87 -38.74 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.577 ' HG3' HD12 ' A' ' 48' ' ' ILE . 46.4 mt-30 -68.6 -35.06 76.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -82.98 -37.16 24.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' HB3' HD11 ' A' ' 77' ' ' LEU . 8.8 mm-40 -57.22 -55.23 37.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.801 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 97.3 p -87.89 -19.31 27.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.09 26.41 73.85 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.54 157.26 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.35 144.78 25.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.577 HD12 ' HG3' ' A' ' 41' ' ' GLN . 20.6 mt -135.36 105.88 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -104.22 108.43 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.098 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.657 HG23 ' SG ' ' A' ' 62' ' ' CYS . 4.0 mt -104.51 126.97 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.955 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.973 -0.433 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.3 mp0 -112.58 140.78 47.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.955 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.0 tpm_? -88.96 126.01 35.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.252 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -73.61 136.77 43.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.657 ' SG ' HG23 ' A' ' 50' ' ' ILE . 80.9 m -130.7 118.46 20.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.4 mtp -86.52 118.96 26.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.412 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.4 mp -101.67 147.47 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.7 m -144.5 128.45 17.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.93 -168.75 26.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.866 ' O ' HG23 ' A' ' 71' ' ' VAL . 9.6 p -51.34 162.18 0.69 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 110.379 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.78 2.93 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.788 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.54 -28.62 62.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.2 m -72.99 -42.26 63.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 67' ' ' THR . 65.6 t -56.57 -52.1 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -58.62 -48.6 80.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.56 -50.85 64.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.801 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -64.3 -44.26 92.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.601 ' HE2' HG12 ' A' ' 71' ' ' VAL . 29.0 mtmt -49.56 -43.42 45.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -64.7 -53.23 50.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.707 ' HB2' HG23 ' A' ' 40' ' ' ILE . 71.9 mt -53.01 -31.64 42.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.496 HD23 HD13 ' A' ' 40' ' ' ILE . 96.3 mt -76.78 -67.78 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -42.32 -40.45 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -60.98 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.707 HG21 HG12 ' A' ' 29' ' ' ILE . 32.5 mt -40.36 -58.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.0 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.529 ' SD ' HG21 ' A' ' 71' ' ' VAL . 3.6 ppp? . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.497 0.189 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.2 m -121.68 132.07 54.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.426 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -130.91 147.59 52.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -105.56 99.69 9.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.533 ' CD1' ' HE2' ' A' ' 75' ' ' LYS . 35.8 t80 -105.71 116.7 32.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -92.36 141.14 28.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -132.85 162.75 55.59 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.25 4.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -53.24 -28.56 27.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.05 -6.39 52.63 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.2 mmm -121.81 -40.32 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 0.72 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.7 p -43.79 -48.43 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.5 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.61 -30.95 4.88 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.469 1.105 . . . . 0.0 111.037 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.64 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -94.38 -24.11 17.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.797 HG12 HG21 ' A' ' 81' ' ' ILE . 38.6 mt -64.14 -33.51 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.5 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.8 mt -61.04 -60.37 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -73.66 -34.83 65.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.683 HD13 HG22 ' A' ' 29' ' ' ILE . 3.1 tp -77.01 -48.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 37' ' ' ILE . 22.9 t -44.07 -50.08 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.06 -33.77 53.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.727 HG23 ' CB ' ' A' ' 77' ' ' LEU . 22.0 mt -76.6 -37.74 29.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.696 ' CG ' HD12 ' A' ' 48' ' ' ILE . 33.6 mt-30 -69.76 -31.57 69.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -85.68 -34.11 21.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.2 -51.49 66.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.754 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 72.9 p -89.91 -16.87 29.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.02 25.56 73.31 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.05 157.74 17.59 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -89.53 142.95 27.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.696 HD12 ' CG ' ' A' ' 41' ' ' GLN . 29.5 mt -135.39 102.12 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -96.81 100.12 11.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.492 HG23 ' SG ' ' A' ' 62' ' ' CYS . 5.6 mt -100.6 120.78 50.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.933 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 15.2 mp0 -109.37 142.49 40.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.933 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 4.0 tpm_? -90.45 124.66 35.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.7 t -72.92 128.25 34.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.492 ' SG ' HG23 ' A' ' 50' ' ' ILE . 56.8 m -125.73 109.51 12.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 108.277 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 89.5 mmm -81.13 123.07 28.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.456 HD11 ' CB ' ' A' ' 19' ' ' TYR . 1.7 mp -103.37 146.35 28.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.3 m -144.29 125.84 14.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.7 -151.38 23.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.135 . . . . 0.0 111.036 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.713 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.2 p -75.16 163.4 68.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.98 7.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.11 -18.97 60.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.404 ' HG ' ' HG1' ' A' ' 67' ' ' THR . 38.4 m -91.71 -36.21 13.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 67' ' ' THR . 54.1 t -61.04 -39.3 81.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.45 -58.54 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 m -47.53 -51.43 20.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.754 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -59.01 -52.85 64.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.533 ' HE2' ' CD1' ' A' ' 19' ' ' TYR . 6.0 mtpm? -45.29 -48.08 13.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -55.02 -52.78 62.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.727 ' CB ' HG23 ' A' ' 40' ' ' ILE . 17.4 mt -54.0 -31.55 51.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.7 mt -74.87 -66.18 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -44.84 -49.24 10.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -41.77 -56.28 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.797 HG21 HG12 ' A' ' 29' ' ' ILE . 19.4 mt -47.61 -49.02 10.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.586 1.179 . . . . 0.0 109.32 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.7 ptm . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.501 0.191 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -116.73 143.56 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.425 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 9.4 tp10 -136.14 145.98 46.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 11.3 tt0 -107.77 98.11 7.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 36.6 t80 -101.47 129.47 47.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -103.29 148.78 25.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.88 160.89 58.95 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.483 ' HG2' HG22 ' A' ' 82' ' ' VAL . 18.3 Cg_endo -75.04 121.45 6.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.773 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.531 ' HA ' HG12 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -52.86 -24.92 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.9 0.51 65.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.463 ' CG ' ' HG2' ' A' ' 22' ' ' PRO . 88.7 mmm -127.58 -40.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.838 HG21 ' HG2' ' A' ' 60' ' ' ARG . 10.9 p -43.23 -52.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.526 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.42 -30.94 4.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.677 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.3 t80 -94.26 -21.57 18.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.897 HG12 HG21 ' A' ' 81' ' ' ILE . 5.2 mt -64.99 -42.49 94.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -55.08 -64.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 111.02 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -73.84 -34.9 64.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.752 HD12 HD12 ' A' ' 40' ' ' ILE . 10.7 tp -77.01 -47.76 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' HG23 ' A' ' 37' ' ' ILE . 2.2 t -42.47 -53.35 4.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.011 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.41 -35.74 40.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.752 HD12 HD12 ' A' ' 37' ' ' ILE . 32.7 mt -72.92 -37.88 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.619 ' HG3' HD12 ' A' ' 48' ' ' ILE . 49.8 mt-30 -69.93 -34.62 73.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -84.64 -25.28 28.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -76.06 -43.47 43.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 1.052 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.5 OUTLIER -98.99 -2.42 37.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.046 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.43 35.6 21.74 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -121.66 156.01 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -86.64 143.97 27.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.619 HD12 ' HG3' ' A' ' 41' ' ' GLN . 24.9 mt -136.13 103.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.59 100.18 10.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.508 HG23 ' SG ' ' A' ' 62' ' ' CYS . 9.9 mt -95.61 131.05 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.998 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.56 139.33 46.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.998 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 7.0 tpm_? -85.41 111.88 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.238 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.404 ' N ' ' HE ' ' A' ' 60' ' ' ARG . 31.3 t -65.21 132.42 49.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.508 ' SG ' HG23 ' A' ' 50' ' ' ILE . 62.3 m -129.8 118.42 21.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.8 mtp -90.64 122.1 33.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.414 ' CD2' HG12 ' A' ' 48' ' ' ILE . 1.6 mp -103.11 152.55 21.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.5 m -144.25 125.52 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.441 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.95 -162.0 28.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.914 ' O ' HG23 ' A' ' 71' ' ' VAL . 28.0 p -63.33 162.14 27.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.428 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.85 4.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.24 -25.41 63.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 m -84.3 -37.32 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.993 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 67' ' ' THR . 87.5 t -60.71 -48.44 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.51 -50.97 69.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.1 m -51.18 -45.95 61.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.052 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -66.94 -40.42 87.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.583 ' HE2' HG12 ' A' ' 71' ' ' VAL . 28.4 mtmt -54.86 -43.66 73.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.59 -37.99 76.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.71 ' CB ' HG23 ' A' ' 40' ' ' ILE . 3.2 mt -70.1 -41.15 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.549 HD23 HD13 ' A' ' 40' ' ' ILE . 68.3 mt -70.11 -40.34 74.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -67.9 -46.1 72.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -55.15 11.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.897 HG21 HG12 ' A' ' 29' ' ' ILE . 70.3 mt -41.21 -57.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.483 HG22 ' HG2' ' A' ' 22' ' ' PRO . 75.8 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 ptm . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.471 0.176 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.5 m -111.99 141.6 45.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 6.0 tp10 -134.52 145.52 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 11.9 tt0 -107.89 98.73 8.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.543 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 12.1 t80 -103.92 129.55 51.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -101.84 140.93 35.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 3.1 m -134.25 160.05 69.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 117.71 5.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -53.78 -23.87 13.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.61 -9.78 78.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.4 mmm -119.58 -35.74 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.58 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.6 p -44.82 -49.66 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -50.11 -29.71 15.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.643 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -94.13 -23.86 17.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 111.002 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.614 HG22 ' CD1' ' A' ' 37' ' ' ILE . 4.1 mt -62.28 -43.51 98.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.2 mp -53.17 -58.57 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -60.59 -40.33 91.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.27 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.614 ' CD1' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -77.73 -38.8 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 t -51.47 -46.39 63.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -31.54 67.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.832 HD11 HD11 ' A' ' 81' ' ' ILE . 16.3 mt -79.74 -36.67 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.672 ' HG3' HD12 ' A' ' 48' ' ' ILE . 38.6 mt-30 -69.48 -31.63 70.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -86.72 -37.38 17.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -58.33 -55.28 37.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.733 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 87.3 p -86.62 -17.47 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.34 30.09 76.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -111.59 158.38 19.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -89.19 141.25 28.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.672 HD12 ' HG3' ' A' ' 41' ' ' GLN . 25.5 mt -133.68 102.66 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -103.12 99.96 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 7.3 mt -95.21 125.42 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.935 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.1 mt-10 -111.15 144.03 40.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.935 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 4.4 tpm_? -91.55 119.77 31.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.8 t -70.59 129.43 39.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' A' ' 50' ' ' ILE . 61.6 m -123.55 112.45 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.38 115.24 20.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.432 HD11 ' CB ' ' A' ' 19' ' ' TYR . 1.9 mp -98.88 146.84 25.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.7 m -142.28 124.72 15.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.92 -162.24 28.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.927 ' O ' HG23 ' A' ' 71' ' ' VAL . 21.7 p -65.07 163.19 32.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.382 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.73 2.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -24.25 65.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.1 m -88.88 -29.79 19.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.927 HG23 ' O ' ' A' ' 67' ' ' THR . 60.2 t -66.22 -45.2 90.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -67.47 -51.48 50.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.44 -51.46 46.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.733 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.63 -52.4 65.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.543 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 6.9 mtpm? -47.77 -51.75 21.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.233 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -50.22 -44.85 53.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.599 ' CB ' HG23 ' A' ' 40' ' ' ILE . 10.6 mt -61.53 -55.85 26.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.419 HD23 HD13 ' A' ' 40' ' ' ILE . 97.2 mt -49.13 -63.16 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -45.51 -53.83 8.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.47 -59.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.832 HD11 HD11 ' A' ' 40' ' ' ILE . 97.6 mt -44.15 -62.07 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 79.5 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 ppp? . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.476 0.179 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 m -125.99 122.35 35.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.473 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -122.86 162.09 22.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -121.88 97.9 5.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.53 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 37.6 t80 -102.45 129.29 48.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -102.35 139.89 37.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 2.5 m -131.36 160.46 67.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.95 5.45 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.462 1.769 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.485 ' HA ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -53.06 -23.4 7.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.18 -4.13 77.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' PHE . 99.0 mmm -124.29 -39.46 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.63 ' O ' HD12 ' A' ' 30' ' ' ILE . 9.8 p -43.34 -51.04 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.505 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.14 -31.62 4.55 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.542 1.152 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.743 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -93.33 -21.44 19.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 0.742 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.616 HG22 HD13 ' A' ' 37' ' ' ILE . 17.4 mt -64.71 -42.12 94.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -56.93 -62.76 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -59.94 -40.6 89.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.616 HD13 HG22 ' A' ' 29' ' ' ILE . 6.0 tp -75.98 -44.86 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 t -44.09 -46.8 8.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -35.45 74.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.648 HD11 HD11 ' A' ' 81' ' ' ILE . 34.6 mt -74.1 -36.31 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.608 ' HG3' HD12 ' A' ' 48' ' ' ILE . 38.8 mt-30 -70.77 -34.83 72.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -83.15 -37.49 23.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -55.57 -57.05 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.764 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 89.4 p -86.8 -19.16 29.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.12 22.12 78.94 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.435 1.084 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -103.68 157.65 16.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 9.4 ttpt -89.04 144.52 26.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.608 HD12 ' HG3' ' A' ' 41' ' ' GLN . 25.2 mt -136.53 105.59 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -102.12 100.25 10.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.646 HG23 ' SG ' ' A' ' 62' ' ' CYS . 6.0 mt -97.45 126.06 50.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.011 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -129.95 139.02 51.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 1.011 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 6.2 tpm_? -85.41 115.77 23.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 t -67.67 134.06 50.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.646 ' SG ' HG23 ' A' ' 50' ' ' ILE . 74.1 m -132.28 120.95 22.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 108.325 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.1 mmm -91.92 119.35 31.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 1.4 mp -98.54 146.65 25.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 67.6 m -144.42 123.88 13.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.43 -164.44 29.38 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 p -58.35 162.5 5.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.97 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.437 1.756 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -14.2 61.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -91.8 -42.06 10.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.2 t -61.03 -37.25 76.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -49.27 43.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.239 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -57.24 -49.3 76.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.968 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.764 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -57.9 -50.78 72.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.53 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 3.9 mtpm? -47.43 -51.81 18.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -51.04 -43.74 60.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.475 ' CB ' HG23 ' A' ' 40' ' ' ILE . 45.3 mt -64.08 -44.3 92.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.577 HD23 HD13 ' A' ' 40' ' ' ILE . 84.7 mt -61.4 -61.79 2.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' GLN . 4.1 t0 -46.87 -54.95 8.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -38.6 -61.87 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.743 HG23 ' CE2' ' A' ' 28' ' ' PHE . 42.6 mt -40.53 -56.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.448 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 97.1 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.62 ' SD ' HG21 ' A' ' 71' ' ' VAL . 3.6 ppp? . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.514 0.197 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.5 m -116.13 125.57 52.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -122.72 169.36 11.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -122.34 101.01 7.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -109.93 112.95 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.87 144.71 26.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 4.2 m -136.85 159.77 68.9 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -51.79 -27.19 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.82 -8.56 57.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 28' ' ' PHE . 99.1 mmm -121.47 -38.15 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.586 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.4 p -44.09 -49.75 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.492 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -48.48 -30.72 8.57 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.431 1.082 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.717 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -94.28 -21.8 18.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.962 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.8 HG12 HG21 ' A' ' 81' ' ' ILE . 5.1 mt -64.89 -41.38 92.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.586 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.2 mp -56.52 -61.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -58.36 -37.35 75.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.623 HD13 HG22 ' A' ' 29' ' ' ILE . 7.7 tp -79.68 -43.34 23.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -44.13 -46.73 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -35.95 77.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.754 HD11 HD11 ' A' ' 81' ' ' ILE . 35.4 mt -73.48 -36.58 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.632 ' HG3' HD12 ' A' ' 48' ' ' ILE . 27.7 mt-30 -70.55 -35.17 72.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -83.7 -37.38 22.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -55.55 -56.55 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.881 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 89.3 p -87.45 -19.11 28.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.67 26.25 73.37 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -109.7 155.38 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 1.1 tttt -87.36 144.84 26.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.632 HD12 ' HG3' ' A' ' 41' ' ' GLN . 17.5 mt -135.97 105.55 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -104.11 99.89 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.805 HG23 ' SG ' ' A' ' 62' ' ' CYS . 6.3 mt -97.05 127.88 48.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.939 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 9.9 mp0 -140.57 133.96 29.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.244 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.939 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 1.6 tpt180 -86.65 127.84 34.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.449 ' O ' ' NE ' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -79.13 112.29 16.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.805 ' SG ' HG23 ' A' ' 50' ' ' ILE . 62.4 m -109.26 123.56 49.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 108.289 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.5 mtp -93.93 127.38 39.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 2.0 mp -107.22 149.53 27.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 49.7 m -144.49 125.49 14.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.412 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.79 -161.71 28.74 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.951 ' O ' HG23 ' A' ' 71' ' ' VAL . 43.3 p -61.15 161.86 15.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.74 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.93 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -17.76 64.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.9 m -89.05 -38.7 14.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.951 HG23 ' O ' ' A' ' 67' ' ' THR . 58.4 t -58.87 -45.44 91.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -67.48 -49.06 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -50.92 62.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.881 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -62.15 -42.09 98.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -52.28 -50.77 61.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -53.36 -43.54 67.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.513 ' CB ' HG23 ' A' ' 40' ' ' ILE . 17.7 mt -63.36 -51.62 65.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.427 HD23 HD13 ' A' ' 40' ' ' ILE . 88.1 mt -53.5 -68.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.75 -46.86 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.66 -61.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.8 HG21 HG12 ' A' ' 29' ' ' ILE . 57.1 mt -41.45 -58.73 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.405 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 52.9 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.4 ptm . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.525 0.203 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.5 m -119.16 132.56 55.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 8.8 tp10 -129.6 146.48 51.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 13.9 tt0 -105.96 99.08 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.457 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 22.6 t80 -104.07 119.89 39.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -94.78 130.04 41.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -122.25 163.12 33.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.32 3.53 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.767 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.91 -32.48 20.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.63 -10.63 45.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.8 mmm -120.0 -38.66 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.753 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -43.31 -49.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.542 ' HA2' HD12 ' A' ' 30' ' ' ILE . . . -48.5 -32.89 10.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.567 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.4 t80 -91.27 -21.55 21.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.57 HG22 HD13 ' A' ' 37' ' ' ILE . 4.8 mt -67.29 -31.24 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.542 HD12 ' HA2' ' A' ' 27' ' ' GLY . 2.8 mt -62.31 -59.41 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -66.31 -32.17 73.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.57 HD13 HG22 ' A' ' 29' ' ' ILE . 7.6 tp -83.68 -44.99 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.36 -50.1 6.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.89 -35.22 68.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.671 HD11 ' CD1' ' A' ' 81' ' ' ILE . 51.1 mt -72.99 -38.97 57.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.445 ' HG3' HD12 ' A' ' 48' ' ' ILE . 55.7 mt-30 -70.28 -32.73 70.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -84.61 -33.71 23.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.75 -54.5 44.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.249 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.779 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 78.0 p -89.3 -16.53 30.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.09 20.66 78.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.37 156.2 18.76 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.19 145.37 25.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.445 HD12 ' HG3' ' A' ' 41' ' ' GLN . 21.9 mt -135.56 105.15 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -101.54 101.21 11.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.491 HG23 ' SG ' ' A' ' 62' ' ' CYS . 8.5 mt -99.84 124.28 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.785 ' HB3' ' NE ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.853 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 2.5 mp0 -138.33 127.83 24.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.785 ' NE ' ' HB3' ' A' ' 51' ' ' ALA . 1.6 tpt180 -85.28 134.61 34.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.448 ' O ' ' NE ' ' A' ' 60' ' ' ARG . 3.0 t -77.09 128.48 34.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.491 ' SG ' HG23 ' A' ' 50' ' ' ILE . 58.5 m -122.7 107.26 11.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.315 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 97.6 mmm -78.99 116.61 19.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mp -96.37 151.97 19.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 62.5 m -144.35 128.92 18.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.66 -168.72 25.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.6 p -54.31 161.9 1.81 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.766 . . . . 0.0 110.402 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -37.03 2.21 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -21.52 62.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 m -83.36 -39.93 20.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 75' ' ' LYS . 12.3 t -60.41 -42.97 92.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.41 -53.04 48.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.1 m -53.29 -50.17 65.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.968 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.779 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.12 -47.34 83.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.457 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 13.9 mtpt -49.52 -56.11 11.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -47.21 -47.64 24.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -57.21 -41.78 80.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.588 HD23 HD13 ' A' ' 40' ' ' ILE . 66.1 mt -64.75 -68.36 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -43.08 -29.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -62.41 -66.07 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.671 ' CD1' HD11 ' A' ' 40' ' ' ILE . 75.1 mt -42.19 -47.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.4 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ptm . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.538 0.209 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.2 m -111.82 154.03 25.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 18' ' ' GLU . 8.7 tt0 -151.22 138.37 19.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 29.0 tt0 -97.67 97.75 9.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 67.2 t80 -99.74 122.55 42.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.446 ' O ' HG13 ' A' ' 21' ' ' VAL . 9.8 mmtp -89.61 155.05 19.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -153.59 162.57 26.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.402 ' HG3' HG11 ' A' ' 82' ' ' VAL . 18.3 Cg_endo -74.98 117.82 5.05 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.76 -18.94 24.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.51 -6.61 86.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.466 ' O ' ' N ' ' A' ' 28' ' ' PHE . 95.4 mmm -123.64 -41.68 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 0.751 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.585 HG21 ' HG2' ' A' ' 60' ' ' ARG . 2.2 p -42.32 -50.17 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -49.09 -34.53 16.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.645 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -87.01 -25.11 24.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 111.0 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.781 HG12 HG21 ' A' ' 81' ' ' ILE . 3.8 mt -66.09 -25.97 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.83 -60.36 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.412 1.07 . . . . 0.0 111.012 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.411 HE21 HD11 ' A' ' 81' ' ' ILE . 12.3 tp60 -48.67 -46.16 39.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.597 HD12 HD12 ' A' ' 40' ' ' ILE . 10.0 tp -69.46 -48.15 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.5 t -43.59 -50.24 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.003 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -35.53 61.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.597 HD12 HD12 ' A' ' 37' ' ' ILE . 38.8 mt -72.78 -36.41 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.754 ' CG ' HD12 ' A' ' 48' ' ' ILE . 26.9 mt-30 -70.68 -37.14 73.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -80.76 -29.59 36.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -70.08 -48.65 56.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.985 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -92.55 -6.26 50.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.016 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.2 34.75 59.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.51 154.03 37.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -82.9 144.24 30.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.754 HD12 ' CG ' ' A' ' 41' ' ' GLN . 46.4 mt -137.18 102.89 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -103.43 100.13 9.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.75 HG23 ' SG ' ' A' ' 62' ' ' CYS . 3.4 mt -99.35 135.28 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.812 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -120.53 137.82 54.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.812 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.0 tpm_? -86.05 135.08 33.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 32.2 t -89.55 127.76 35.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.75 ' SG ' HG23 ' A' ' 50' ' ' ILE . 60.7 m -123.78 106.77 10.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.5 mtp -75.13 114.41 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.554 HD23 HG12 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -98.4 146.1 26.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.3 m -144.46 125.48 14.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.72 -162.09 29.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 71' ' ' VAL . 17.5 p -57.8 161.99 5.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.89 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -25.29 64.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.4 m -80.89 -35.1 32.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 67' ' ' THR . 51.2 t -60.88 -39.28 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -49.74 18.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.9 m -50.38 -52.39 37.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.042 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.985 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.27 -49.52 76.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.567 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 1.7 mtpm? -48.04 -51.17 25.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 mmm-85 -51.57 -37.53 50.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.589 ' CB ' HG23 ' A' ' 40' ' ' ILE . 21.2 mt -70.72 -47.71 58.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.587 HD23 HD13 ' A' ' 40' ' ' ILE . 94.7 mt -58.25 -65.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -45.5 -48.76 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.59 -60.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.781 HG21 HG12 ' A' ' 29' ' ' ILE . 27.2 mt -46.57 -47.66 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.402 HG11 ' HG3' ' A' ' 22' ' ' PRO . 64.4 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -140.52 170.99 14.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.34 143.78 22.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.93 -178.05 30.01 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.2 -62.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.021 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.11 171.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.943 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.47 -123.84 2.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 71.75 73.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -163.35 128.45 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -168.69 168.72 10.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -148.09 166.53 27.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -178.28 142.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.54 131.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.513 HG13 ' CA ' ' A' ' 66' ' ' GLY . 83.8 t -122.88 144.87 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.8 ptm -128.48 158.74 37.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.3 m -111.58 135.57 51.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -128.55 146.77 50.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -108.93 109.28 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.55 ' HB2' HD11 ' A' ' 64' ' ' LEU . 21.6 t80 -116.68 131.34 56.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -101.86 139.28 37.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 4.2 m -132.58 159.51 72.15 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.84 5.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -52.16 -24.61 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.08 -0.39 60.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.3 mmm -127.57 -43.04 1.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 0.742 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.5 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.3 p -44.16 -49.76 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.482 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -49.64 -29.82 12.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.571 1.169 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.608 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -94.47 -20.55 19.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.788 . . . . 0.0 110.985 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.766 HG12 HG21 ' A' ' 81' ' ' ILE . 9.9 mt -65.86 -42.71 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.511 HG22 ' HA2' ' A' ' 34' ' ' GLY . 1.2 mp -54.02 -58.11 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.36 -165.55 22.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.44 89.67 7.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 0.761 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.07 1.77 59.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.511 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 87.52 34.46 10.33 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -90.61 -31.55 16.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.792 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -63.2 -37.56 87.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.451 HD13 ' HG3' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -80.63 -37.19 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -42.91 69.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -32.24 71.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.751 HD11 HD11 ' A' ' 81' ' ' ILE . 23.1 mt -76.41 -37.85 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HG3' HD13 ' A' ' 37' ' ' ILE . 33.1 mt-30 -70.93 -32.27 69.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.259 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -85.84 -27.04 25.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.82 -48.85 51.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.252 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.63 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 9.3 p -93.45 -8.75 40.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.3 27.02 62.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 158.42 18.64 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.96 144.3 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.683 HG12 HD23 ' A' ' 64' ' ' LEU . 44.0 mt -136.66 105.5 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.74 100.14 11.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.0 mt -95.14 137.2 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.84 153.01 92.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.74 3.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.757 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -138.64 106.51 5.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.39 -20.25 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.4 -96.37 2.09 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.13 23.38 1.58 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -94.56 155.0 40.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -28.7 8.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.9 mp0 -118.05 137.84 52.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.402 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -95.76 119.04 33.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.8 t -67.52 143.5 56.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.9 m -132.27 113.96 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 108.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.16 114.89 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.683 HD23 HG12 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -99.66 145.82 27.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.8 m -144.52 129.54 18.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.513 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 141.36 -166.62 26.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.633 ' O ' HG23 ' A' ' 71' ' ' VAL . 18.0 p -58.15 161.82 6.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.427 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.17 4.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -71.71 -24.24 61.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.4 m -85.21 -36.28 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.02 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 67' ' ' THR . 37.3 t -60.93 -45.7 97.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.17 -51.88 53.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.82 -47.64 42.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.63 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -62.35 -48.65 78.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -48.73 -50.68 32.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -50.94 -40.87 58.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.663 ' CB ' HG23 ' A' ' 40' ' ' ILE . 5.9 mt -65.58 -49.38 69.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.3 mt -55.83 -66.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.41 -41.68 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -58.75 5.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.766 HG21 HG12 ' A' ' 29' ' ' ILE . 67.0 mt -45.81 -51.49 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.8 t -58.17 -54.09 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.75 -51.99 61.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -61.24 -22.68 65.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -121.12 46.95 1.06 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.72 -51.23 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.77 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.9 p -179.43 150.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.971 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.07 157.0 21.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 70.57 5.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.1 108.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.005 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.65 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.053 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 p 58.21 67.56 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 0.784 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.55 106.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.24 85.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.553 1.158 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -165.92 140.66 4.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.0 p -137.52 149.0 46.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.019 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.78 82.62 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.461 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -179.84 131.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 0.785 . . . . 0.0 109.588 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 8' ' ' HIS . 0.6 OUTLIER -157.36 -58.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 64.04 117.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.47 155.64 26.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -137.16 175.62 9.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 m -79.51 174.41 11.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.014 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.455 HG13 ' CA ' ' A' ' 66' ' ' GLY . 61.5 t -82.01 145.68 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.2 ptm -126.45 160.86 29.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.8 m -125.81 123.45 38.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' OE1' ' NZ ' ' A' ' 75' ' ' LYS . 2.1 tt0 -117.87 172.17 7.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -125.38 98.95 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.507 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 38.6 t80 -103.42 122.81 45.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -94.35 143.53 26.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.493 HG21 HG23 ' A' ' 26' ' ' VAL . 17.1 m -138.1 158.65 70.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.98 5.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -29.27 15.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.48 -6.9 51.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' PHE . 96.8 mmm -124.9 -40.19 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.554 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -44.08 -49.92 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.497 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -50.01 -30.19 15.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -94.24 -22.38 18.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.992 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.64 HG12 HG21 ' A' ' 81' ' ' ILE . 4.6 mt -64.2 -41.82 93.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.609 HG22 ' HA2' ' A' ' 34' ' ' GLY . 1.2 mp -55.95 -60.23 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.13 -176.9 33.44 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -71.18 102.86 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 110.313 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.78 12.48 83.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.609 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 76.56 39.31 30.31 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -92.08 -33.09 14.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -58.7 -34.24 71.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.541 HD11 HD13 ' A' ' 48' ' ' ILE . 8.0 tp -84.56 -38.82 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 t -45.66 -50.8 13.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -37.32 75.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.92 HD11 HD11 ' A' ' 81' ' ' ILE . 37.6 mt -71.67 -38.12 65.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.595 ' HG3' HD12 ' A' ' 48' ' ' ILE . 35.2 mt-30 -69.96 -33.9 72.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -83.58 -31.0 26.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.9 -48.24 63.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 1.042 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -93.51 -2.12 54.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.85 36.06 25.67 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.29 150.45 43.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -86.03 144.32 27.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.595 HD12 ' HG3' ' A' ' 41' ' ' GLN . 20.3 mt -133.65 104.96 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.33 100.12 10.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.599 HG23 ' SG ' ' A' ' 62' ' ' CYS . 7.7 mt -95.03 142.89 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.415 ' O ' ' NH1' ' A' ' 60' ' ' ARG . . . -65.85 154.37 89.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -24.42 12.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -161.47 103.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.9 p -47.19 -32.72 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.65 -8.57 34.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.94 -14.98 7.92 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.9 162.53 0.24 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.781 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.98 11.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.533 1.807 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 10.4 mm-40 -131.27 136.49 48.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' NH1' ' O ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -93.18 115.48 28.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.8 t -62.11 132.92 54.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.078 . . . . 0.0 109.954 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.599 ' SG ' HG23 ' A' ' 50' ' ' ILE . 62.9 m -128.04 113.38 15.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 108.311 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.7 mmm -84.05 118.7 24.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 48' ' ' ILE . 1.2 mp -98.93 150.83 21.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.6 m -144.51 131.98 20.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.387 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.455 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 139.12 -169.18 24.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 71' ' ' VAL . 9.4 p -53.62 162.36 1.32 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 110.395 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.24 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.25 -17.87 64.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 m -87.95 -41.36 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 67' ' ' THR . 26.1 t -56.74 -46.79 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -48.67 70.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.9 m -53.97 -48.26 70.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.042 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -61.04 -44.5 97.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 19.6 mtmt -50.42 -53.0 32.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -46.94 -48.96 21.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.645 ' CB ' HG23 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -58.68 -50.51 73.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.485 HD21 ' CD1' ' A' ' 37' ' ' ILE . 30.8 mt -54.42 -69.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 78' ' ' LEU . 12.1 t0 -40.56 -51.17 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -61.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.92 HD11 HD11 ' A' ' 40' ' ' ILE . 97.1 mt -40.57 -63.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.0 t -43.4 -56.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -58.78 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.4 -31.85 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -121.59 59.02 0.57 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -117.4 -44.35 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.5 m -145.19 81.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 54.23 -167.45 1.93 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 65.14 6.1 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.4 t 41.57 78.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.9 p -174.19 121.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -170.45 -58.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.69 164.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.988 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.49 -177.68 16.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -172.99 97.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 110.054 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.08 158.98 23.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.64 -138.92 5.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.8 m170 66.85 125.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.568 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -167.11 140.5 3.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.89 -57.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 43.07 -165.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -173.34 -61.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 m -136.85 -177.93 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.952 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.692 HG13 ' HA2' ' A' ' 66' ' ' GLY . 40.9 t -125.19 151.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.8 ptm -130.87 164.01 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 m -120.25 135.21 55.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -123.94 168.51 12.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -125.09 100.09 6.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 31.8 t80 -108.2 133.05 53.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -104.91 145.3 30.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 1.5 m -139.99 161.23 57.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.41 4.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.456 ' HA ' HG12 ' A' ' 26' ' ' VAL . 12.7 t70 -52.49 -21.57 3.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.2 4.32 63.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 98.6 mmm -131.31 -45.14 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 0.721 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 27' ' ' GLY . 8.2 p -42.23 -51.79 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.511 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.25 -34.98 6.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.687 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -87.93 -25.06 23.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.981 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.85 HG12 HG21 ' A' ' 81' ' ' ILE . 10.8 mt -63.55 -27.5 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.553 HG22 ' HA2' ' A' ' 34' ' ' GLY . 7.5 mt -61.55 -61.34 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.23 175.58 27.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -65.46 83.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.13 -19.81 34.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.553 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 109.18 34.2 2.59 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -25.33 17.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -62.82 -34.95 78.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -82.49 -36.56 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -55.27 -39.82 70.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -64.63 -34.27 77.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.57 HG23 ' CB ' ' A' ' 77' ' ' LEU . 34.4 mt -72.05 -39.62 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.62 ' CG ' HD12 ' A' ' 48' ' ' ILE . 28.5 mt-30 -71.0 -34.14 71.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -85.41 -23.88 27.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 3.2 mm-40 -72.02 -49.06 40.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.624 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 12.3 p -95.03 -9.56 33.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.77 26.6 67.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -109.94 157.03 19.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -86.99 142.57 27.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.62 HD12 ' CG ' ' A' ' 41' ' ' GLN . 37.9 mt -135.0 108.08 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -105.71 100.14 9.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.9 mt -95.91 140.66 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.88 153.97 90.18 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -35.86 2.94 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.3 107.38 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 p -40.19 -42.5 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.89 17.45 18.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.65 7.63 62.95 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -76.07 156.44 84.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -22.29 15.07 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.7 OUTLIER -134.16 133.64 41.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.84 113.03 25.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.8 t -63.58 142.52 58.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 36.5 m -130.25 119.75 23.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.267 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -83.53 115.28 22.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.449 HD11 ' CB ' ' A' ' 19' ' ' TYR . 1.4 mp -100.95 144.16 30.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.441 HG22 HG11 ' A' ' 14' ' ' VAL . 25.5 m -144.13 125.06 14.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.692 ' HA2' HG13 ' A' ' 14' ' ' VAL . . . 146.19 -163.25 28.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.557 1.161 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 71' ' ' VAL . 5.6 p -57.6 162.58 4.64 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 110.436 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -41.19 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.11 -29.94 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.2 m -76.58 -33.93 58.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 67' ' ' THR . 22.0 t -64.46 -44.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -64.79 -54.71 26.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.8 m -47.78 -55.77 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.624 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -52.02 -51.53 56.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -46.23 -56.84 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -46.68 -47.86 20.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.57 ' CB ' HG23 ' A' ' 40' ' ' ILE . 25.7 mt -58.93 -43.54 91.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.518 HD23 HD13 ' A' ' 40' ' ' ILE . 93.9 mt -63.17 -61.36 2.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' GLN . 24.0 t0 -47.84 -50.92 24.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -38.87 -61.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.85 HG21 HG12 ' A' ' 29' ' ' ILE . 34.3 mt -42.32 -53.9 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.449 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 50.3 t -51.68 -55.9 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.87 -54.02 51.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.82 -29.84 42.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -118.3 52.06 0.72 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -121.3 -44.56 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.257 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.78 105.97 7.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.72 -177.97 45.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.68 3.64 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.73 -61.85 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.45 168.49 16.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.133 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.095 . . . . 0.0 110.964 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 t 62.33 122.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.77 158.07 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.39 142.66 13.35 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -100.21 100.23 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 110.027 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -158.57 150.48 21.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.7 160.13 11.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -109.25 124.29 50.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.629 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.39 -59.08 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 62.72 103.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -171.61 172.97 4.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 61.78 124.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 m -75.44 178.47 5.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.957 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG13 ' CA ' ' A' ' 66' ' ' GLY . 21.6 t -93.87 149.17 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.402 ' SD ' HG21 ' A' ' 71' ' ' VAL . 4.2 ppp? -142.66 163.8 31.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.4 m -119.89 130.42 54.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -121.92 174.43 6.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -129.47 105.89 8.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CD1' ' HD3' ' A' ' 75' ' ' LYS . 21.6 t80 -113.28 119.96 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.82 130.66 39.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 60' ' ' ARG . 14.3 m -122.34 159.05 54.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 114.7 4.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.425 ' HA ' HG12 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -52.21 -21.62 3.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.11 62.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.423 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 95.5 mmm -134.6 -43.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.493 ' O ' HD12 ' A' ' 30' ' ' ILE . 3.4 p -43.49 -48.92 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.5 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.95 -30.87 5.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -94.17 -24.55 17.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 110.982 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.523 HG22 HD12 ' A' ' 37' ' ' ILE . 48.4 mt -63.08 -37.96 80.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.5 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.4 mp -58.15 -62.47 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.86 177.44 40.95 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.97 107.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.47 1.13 69.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.49 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 86.14 33.8 13.99 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -83.72 -31.29 26.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -60.72 -40.32 91.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.523 HD12 HG22 ' A' ' 29' ' ' ILE . 1.0 OUTLIER -77.56 -46.87 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -42.02 -43.52 3.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -42.04 99.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.931 HD11 HD11 ' A' ' 81' ' ' ILE . 53.0 mt -64.74 -40.38 88.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.633 ' CG ' HD12 ' A' ' 48' ' ' ILE . 56.8 mt-30 -69.17 -35.75 76.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -78.7 -34.05 46.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.95 -46.17 72.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.876 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -91.53 -16.23 27.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' GLN . . . 62.73 36.72 93.7 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.83 158.11 32.57 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -89.14 141.96 28.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.633 HD12 ' CG ' ' A' ' 41' ' ' GLN . 46.6 mt -133.54 101.35 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -97.58 99.99 11.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.809 HG23 ' SG ' ' A' ' 62' ' ' CYS . 3.4 mt -98.61 127.45 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.78 154.59 88.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -20.25 16.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -147.87 133.15 18.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p -95.36 18.63 12.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 110.015 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.96 10.39 68.12 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.34 14.79 63.32 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.547 HD13 ' HD2' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -74.04 162.54 73.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.547 ' HD2' HD13 ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.06 -10.97 21.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.521 1.8 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -136.23 138.67 42.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.478 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -104.13 124.36 48.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.1 t -72.53 138.84 47.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.809 ' SG ' HG23 ' A' ' 50' ' ' ILE . 96.7 m -130.75 106.96 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 108.248 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.39 119.31 19.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.8 mp -102.05 149.99 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.4 m -144.38 129.32 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.415 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.492 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 145.66 -152.12 24.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 71' ' ' VAL . 3.0 p -77.57 164.07 60.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 67' ' ' THR . 18.2 Cg_endo -75.03 -22.65 14.54 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.76 -30.24 45.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.4 m -82.94 -38.63 22.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.772 HG12 ' HE2' ' A' ' 75' ' ' LYS . 41.8 t -58.33 -44.72 88.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -66.81 -54.27 24.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.8 m -48.81 -55.68 10.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.876 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -52.9 -52.54 57.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.772 ' HE2' HG12 ' A' ' 71' ' ' VAL . 20.1 mtmt -44.76 -54.87 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -47.92 -49.96 28.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.614 ' CB ' HG23 ' A' ' 40' ' ' ILE . 12.5 mt -56.48 -46.86 80.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.53 -68.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -40.57 -47.58 2.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -66.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.931 HD11 HD11 ' A' ' 40' ' ' ILE . 51.5 mt -41.72 -56.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.423 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 84.7 t -48.4 -56.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -57.15 -56.89 15.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.9 -54.04 10.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.01 -79.07 0.29 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER 39.05 77.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.03 84.55 6.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.11 176.57 21.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.113 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.95 11.91 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.491 1.785 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.26 168.07 10.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.0 p -155.12 129.88 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.959 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.5 p -135.47 163.95 28.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.779 . . . . 0.0 109.992 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -106.38 167.42 9.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.89 118.22 1.86 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -120.36 104.63 10.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.83 154.12 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.19 -84.69 1.82 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.4 m170 63.76 120.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 109.605 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -147.53 123.91 10.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -177.58 160.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.312 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -41.92 132.66 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -123.15 -57.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.52 143.58 7.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.66 HG13 ' HA2' ' A' ' 66' ' ' GLY . 11.6 t -126.34 151.64 33.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.5 ' SD ' HG21 ' A' ' 71' ' ' VAL . 4.2 ppp? -140.92 165.39 27.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.0 m -114.71 133.99 55.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 9.2 tp10 -131.25 146.17 52.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 13.5 tt0 -110.4 98.4 7.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.458 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 41.4 t80 -101.13 124.47 46.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -92.36 139.6 30.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 60' ' ' ARG . 29.5 m -135.29 158.01 75.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 114.01 3.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.38 -26.49 7.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.91 -7.68 56.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.1 mmm -123.39 -39.88 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.798 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -44.76 -47.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.158 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -50.88 -29.22 19.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.63 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -94.3 -21.18 19.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 0.0 110.992 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.738 HG12 HG21 ' A' ' 81' ' ' ILE . 19.0 mt -65.58 -36.47 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.476 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.6 mt -58.42 -56.09 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' ARG . . . 89.32 54.32 2.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER 37.99 85.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.29 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.21 -37.14 3.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' HA2' ' CG2' ' A' ' 30' ' ' ILE . . . 110.94 30.56 3.17 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -86.36 -26.03 25.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -77.55 -33.68 54.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.89 HD13 ' O ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -81.37 -33.88 12.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -55.0 -51.29 66.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -35.9 62.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.582 HG23 ' CB ' ' A' ' 77' ' ' LEU . 48.5 mt -68.75 -40.87 82.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.593 ' CG ' HD12 ' A' ' 48' ' ' ILE . 35.9 mt-30 -69.84 -36.75 75.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -78.94 -29.55 44.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.75 -53.02 37.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.885 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 6.8 p -91.39 -8.02 49.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.72 27.61 61.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.19 155.14 22.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -87.15 144.22 26.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.593 HD12 ' CG ' ' A' ' 41' ' ' GLN . 40.7 mt -136.49 105.83 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -100.74 100.13 10.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.713 HG23 ' SG ' ' A' ' 62' ' ' CYS . 4.9 mt -96.93 138.26 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.446 ' O ' ' NH1' ' A' ' 60' ' ' ARG . . . -65.85 154.77 88.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -41.08 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.792 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.02 110.4 7.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.496 ' O ' HD23 ' A' ' 57' ' ' LEU . 83.2 p -50.61 -32.63 19.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.31 17.58 33.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.83 5.01 63.1 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 54' ' ' SER . 4.2 mm? -69.66 154.94 94.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -23.89 13.35 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -131.88 133.32 44.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.483 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -95.01 115.77 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 t -63.19 141.65 58.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.713 ' SG ' HG23 ' A' ' 50' ' ' ILE . 89.6 m -132.31 109.45 9.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 108.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 mtp -77.61 116.06 17.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.464 HD23 HG12 ' A' ' 48' ' ' ILE . 1.4 mp -102.51 146.89 27.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.0 m -144.44 126.92 15.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.66 ' HA2' HG13 ' A' ' 14' ' ' VAL . . . 145.94 -170.97 27.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.932 ' O ' HG23 ' A' ' 71' ' ' VAL . 26.3 p -49.86 162.02 0.5 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 110.411 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -36.06 2.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -23.13 61.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.5 m -80.11 -42.53 23.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 67' ' ' THR . 48.9 t -55.75 -45.48 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.47 -52.71 50.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.5 m -49.38 -55.37 13.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.885 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.27 -44.68 88.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 11.7 mtmt -48.65 -51.25 29.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -52.34 -54.37 32.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.582 ' CB ' HG23 ' A' ' 40' ' ' ILE . 13.5 mt -49.92 -47.41 52.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.448 HD23 HD13 ' A' ' 40' ' ' ILE . 95.9 mt -57.36 -70.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -40.83 -51.63 3.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -38.77 -64.35 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.738 HG21 HG12 ' A' ' 29' ' ' ILE . 35.1 mt -41.95 -58.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.414 ' O ' ' CG ' ' A' ' 86' ' ' ARG . 70.9 t -47.56 -41.47 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 80' ' ' GLN . 1.4 mt-10 -72.37 -64.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.237 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -40.45 -42.86 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.66 -49.38 24.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' A' ' 82' ' ' VAL . 2.3 mmt180 -42.41 -54.67 3.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.6 t 176.68 91.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.025 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 60.77 177.57 1.92 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 109.06 2.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 91' ' ' SER . 3.4 m 61.85 -84.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.947 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.9 OUTLIER 82.2 151.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.02 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.44 1.088 . . . . 0.0 110.975 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.5 95.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.003 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -67.9 122.21 17.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.45 -93.78 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.07 80.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.753 . . . . 0.0 110.014 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.3 p -153.36 125.31 7.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.039 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.85 112.65 1.12 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -108.87 83.79 1.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 109.576 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -144.44 167.68 21.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -97.9 132.31 43.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.91 99.75 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -143.77 103.69 4.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.76 140.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.761 HG13 ' CA ' ' A' ' 66' ' ' GLY . 48.6 t -128.8 149.33 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.4 ptm -127.01 166.38 17.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.2 m -124.53 138.2 54.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 6.2 tp10 -130.91 145.69 52.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 20.1 tt0 -103.98 106.83 17.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.551 ' CD1' ' HE2' ' A' ' 75' ' ' LYS . 36.2 t80 -114.94 125.96 54.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -96.22 150.31 20.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -144.15 161.2 46.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.12 5.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.81 -21.04 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.18 -2.61 83.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.502 ' HE2' ' HA ' ' A' ' 82' ' ' VAL . 96.9 mmm -125.31 -45.21 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.608 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.9 p -43.7 -49.8 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.496 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.37 -31.7 4.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -94.25 -22.93 18.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.992 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.876 HG12 HG21 ' A' ' 81' ' ' ILE . 8.7 mt -64.93 -35.94 76.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.5 mp -60.77 -58.83 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.94 165.01 21.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.55 -62.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 0.791 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.8 28.76 10.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.468 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 66.51 27.8 73.36 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -92.0 -22.77 19.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -59.98 -38.84 83.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.505 HD12 HD12 ' A' ' 40' ' ' ILE . 5.8 tp -78.56 -45.41 25.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.2 t -44.44 -44.0 8.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -36.31 80.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.758 HG23 ' CB ' ' A' ' 77' ' ' LEU . 32.5 mt -73.16 -36.36 49.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.608 ' CG ' HD12 ' A' ' 48' ' ' ILE . 49.2 mt-30 -70.46 -35.38 73.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -83.28 -28.87 28.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.43 -45.28 60.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.732 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -99.03 2.51 46.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 45.0 32.83 3.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.505 ' CB ' ' HB2' ' A' ' 70' ' ' SER . 2.8 t -114.03 156.41 24.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -90.94 138.81 31.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.608 HD12 ' CG ' ' A' ' 41' ' ' GLN . 13.1 mt -133.21 112.62 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -113.34 99.98 8.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.57 HG23 ' SG ' ' A' ' 62' ' ' CYS . 2.9 mt -95.74 135.62 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.0 156.05 85.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -21.89 15.4 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -158.79 113.17 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' GLY . 92.1 p -70.91 59.36 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' SER . . . 37.04 -103.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.28 20.32 3.18 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.82 157.75 54.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -30.16 7.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -109.84 136.18 49.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.457 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 0.4 OUTLIER -92.32 117.65 30.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.1 t -66.14 140.31 58.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.57 ' SG ' HG23 ' A' ' 50' ' ' ILE . 57.6 m -127.91 106.14 8.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 108.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 96.8 mmm -78.75 115.79 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mp -96.9 150.31 20.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.8 m -137.2 121.24 17.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.384 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.761 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 149.72 -147.56 17.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.83 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.0 OUTLIER -88.2 175.54 4.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 110.409 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.56 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 70' ' ' SER . 4.3 pt-20 -62.46 -35.74 80.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.505 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 19.5 p -75.52 -45.81 35.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 67' ' ' THR . 73.1 t -59.13 -45.53 92.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -60.75 -57.9 10.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.405 ' CB ' ' HB2' ' A' ' 44' ' ' SER . 72.6 m -48.24 -58.16 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.732 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -48.48 -53.38 18.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 19' ' ' TYR . 1.2 mtpm? -45.14 -57.69 3.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' O ' ' CD ' ' A' ' 80' ' ' GLN . 18.1 mmt180 -45.68 -46.36 14.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.758 ' CB ' HG23 ' A' ' 40' ' ' ILE . 73.5 mt -62.22 -51.6 67.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.617 HD23 HD13 ' A' ' 40' ' ' ILE . 85.1 mt -56.64 -46.89 80.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 80' ' ' GLN . 6.0 t0 -61.25 -53.0 62.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -38.34 -45.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.876 HG21 HG12 ' A' ' 29' ' ' ILE . 57.5 mt -57.16 -53.15 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.502 ' HA ' ' HE2' ' A' ' 25' ' ' MET . 47.0 t -65.12 -49.68 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -41.85 67.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -64.28 -61.91 1.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -97.73 49.39 1.44 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -76.29 -50.84 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.769 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.53 -56.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.13 97.42 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -54.73 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.761 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.55 119.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.33 -72.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 p -161.67 128.45 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.79 109.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.41 -170.21 11.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.7 p -174.91 115.05 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 0.803 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -169.77 166.82 9.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.986 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.29 103.28 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -169.67 151.35 4.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 0.804 . . . . 0.0 109.614 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -71.48 167.69 19.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -165.35 167.14 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 65.32 145.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -170.93 -53.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.65 164.57 31.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.651 HG13 ' HA2' ' A' ' 66' ' ' GLY . 38.5 t -114.78 151.66 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ptm -137.48 161.95 35.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.5 m -117.99 145.51 44.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -134.9 164.55 27.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -118.37 112.75 20.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.512 ' CD1' ' HE2' ' A' ' 75' ' ' LYS . 25.4 t80 -123.84 122.36 37.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -95.07 140.79 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 60' ' ' ARG . 3.1 m -130.37 160.25 66.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.409 ' HG3' ' CG1' ' A' ' 82' ' ' VAL . 18.3 Cg_endo -74.98 122.26 7.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.571 ' HA ' HG12 ' A' ' 26' ' ' VAL . 1.5 t0 -57.22 -18.15 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.03 7.95 68.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.2 mmm -135.65 -44.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 23' ' ' ASP . 14.6 p -42.28 -53.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.54 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.37 -34.93 6.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.697 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -87.59 -26.32 23.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 111.009 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.802 HG22 ' CD1' ' A' ' 37' ' ' ILE . 3.3 mt -63.27 -28.34 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.573 HG22 ' HA2' ' A' ' 34' ' ' GLY . 21.0 mt -60.84 -62.22 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.33 169.79 18.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.28 -47.38 25.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.04 39.98 1.77 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.573 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 58.64 25.8 59.05 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -91.66 -27.82 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 0.746 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -56.18 -44.61 79.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.802 ' CD1' HG22 ' A' ' 29' ' ' ILE . 2.8 tp -69.47 -49.2 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.421 ' N ' HG23 ' A' ' 37' ' ' ILE . 10.5 t -45.24 -46.57 12.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.74 -33.27 60.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.665 HG23 ' CB ' ' A' ' 77' ' ' LEU . 22.7 mt -76.73 -35.09 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.634 ' CG ' HD12 ' A' ' 48' ' ' ILE . 65.8 mt-30 -71.27 -35.1 71.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -82.45 -28.49 31.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.46 -46.21 55.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 1.036 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -95.6 -3.52 46.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 50.01 36.88 28.46 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.37 157.38 31.96 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -87.15 141.88 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.634 HD12 ' CG ' ' A' ' 41' ' ' GLN . 31.5 mt -134.42 102.56 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -101.68 101.64 12.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.1 mt -98.8 124.81 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.912 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . -66.3 156.56 84.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -66.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.564 1.823 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.78 132.13 39.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.558 ' O ' HD23 ' A' ' 57' ' ' LEU . 98.4 p -83.0 -11.93 57.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.25 14.04 82.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.83 25.66 21.94 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 54' ' ' SER . 4.5 mm? -88.79 154.9 50.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -30.1 7.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 111.031 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -124.86 138.61 54.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.912 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.0 tpm_? -91.94 128.14 37.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.416 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 12.6 t -78.44 141.02 38.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.9 m -132.31 108.72 9.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.258 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -77.67 114.55 16.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 1.7 mp -98.34 147.88 24.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 91.6 m -144.16 134.58 24.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.339 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.651 ' HA2' HG13 ' A' ' 14' ' ' VAL . . . 138.48 -163.66 25.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.833 ' O ' HG23 ' A' ' 71' ' ' VAL . 60.6 p -57.4 161.38 5.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -38.6 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.59 -16.0 63.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.2 m -90.84 -39.43 12.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.039 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 67' ' ' THR . 85.5 t -57.68 -42.08 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -54.61 10.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.4 m -46.83 -50.92 17.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.036 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -59.43 -49.41 77.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.512 ' HE2' ' CD1' ' A' ' 19' ' ' TYR . 4.1 mtpm? -48.38 -52.12 23.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.03 -45.05 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.665 ' CB ' HG23 ' A' ' 40' ' ' ILE . 14.6 mt -62.62 -45.03 94.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.488 HD23 HD13 ' A' ' 40' ' ' ILE . 85.6 mt -61.35 -66.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -44.74 -44.44 9.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -45.8 -65.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.697 HG23 ' CE2' ' A' ' 28' ' ' PHE . 46.2 mt -42.07 -50.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.409 ' CG1' ' HG3' ' A' ' 22' ' ' PRO . 73.0 t -59.23 -59.31 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -50.13 -47.13 54.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.347 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -55.06 -48.74 73.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.74 60.59 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 111.043 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.76 91.51 8.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 110.273 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -115.81 -69.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.82 -166.47 12.15 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 93.66 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.55 1.816 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -84.94 123.57 30.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.05 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.6 p -74.67 82.62 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.06 173.26 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 m 60.97 145.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.92 -168.63 20.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.571 1.169 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -152.24 157.7 41.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.982 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 174.78 125.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.54 110.49 0.44 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -179.97 119.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 109.562 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -140.01 114.67 9.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -112.72 151.57 30.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.64 142.97 14.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.38 -59.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.3 p -160.96 174.08 14.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.22 148.27 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ptm -126.52 163.65 22.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.5 m -116.08 135.64 53.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.452 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.0 tp10 -125.83 147.04 49.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 15.3 tt0 -108.97 100.88 10.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.493 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 28.0 t80 -109.02 125.06 51.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -98.24 134.39 41.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' ARG . 11.9 m -124.67 159.26 59.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.471 ' HA ' HG12 ' A' ' 26' ' ' VAL . 11.4 t70 -53.59 -21.06 5.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.76 -2.17 85.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.459 ' CB ' HG22 ' A' ' 82' ' ' VAL . 97.6 mmm -127.08 -39.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.706 ' O ' HD12 ' A' ' 30' ' ' ILE . 9.8 p -42.5 -52.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.531 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.21 -33.66 5.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.603 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -90.97 -22.75 20.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.6 HG12 HG21 ' A' ' 81' ' ' ILE . 5.1 mt -63.83 -47.34 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.7 mp -47.96 -61.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.48 166.02 16.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -41.28 -56.64 2.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.94 26.12 8.08 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.704 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 72.25 23.3 78.16 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -87.38 -26.46 23.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.57 -44.29 85.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.572 HD13 HG22 ' A' ' 29' ' ' ILE . 3.8 tp -74.58 -40.77 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.82 -50.84 24.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.95 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -33.05 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.557 HG23 ' CB ' ' A' ' 77' ' ' LEU . 37.1 mt -75.52 -38.08 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.467 ' CG ' HD12 ' A' ' 48' ' ' ILE . 42.2 mt-30 -69.69 -34.3 73.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -84.15 -35.54 23.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.22 -55.25 37.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.768 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 96.2 p -87.37 -19.95 27.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.19 22.3 79.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.563 1.164 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.64 158.43 16.71 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.85 143.67 26.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.486 HG12 HD23 ' A' ' 64' ' ' LEU . 25.9 mt -134.75 102.96 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.71 100.71 11.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.675 HG23 ' SG ' ' A' ' 62' ' ' CYS . 5.4 mt -96.28 123.22 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.932 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . -66.89 159.98 72.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -80.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.504 1.791 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.448 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -80.31 130.49 35.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' GLY . 4.1 p -87.66 43.73 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.958 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' SER . . . 36.92 -95.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 54' ' ' SER . . . -150.63 23.62 1.05 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -95.2 154.32 39.53 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.776 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -30.95 6.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 2.2 mp0 -110.06 140.26 44.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.932 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 4.0 tpm_? -87.8 124.83 34.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.6 t -73.17 128.76 36.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.675 ' SG ' HG23 ' A' ' 50' ' ' ILE . 94.8 m -122.79 109.3 14.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.37 114.64 16.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD23 HG12 ' A' ' 48' ' ' ILE . 1.2 mp -98.39 146.12 26.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 m -144.41 134.48 24.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.05 -166.14 25.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 71' ' ' VAL . 71.3 p -55.55 161.3 3.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.527 0.781 . . . . 0.0 110.405 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -31.98 5.78 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.94 -22.16 56.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.6 m -84.55 -34.38 23.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 67' ' ' THR . 13.0 t -61.99 -42.46 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -69.18 -56.51 7.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.9 m -47.23 -54.06 11.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.768 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -55.13 -51.52 66.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.493 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 2.7 mtpm? -45.98 -53.36 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -49.99 -49.51 50.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.557 ' CB ' HG23 ' A' ' 40' ' ' ILE . 42.2 mt -57.95 -40.23 80.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.44 HD23 HD13 ' A' ' 40' ' ' ILE . 83.8 mt -64.93 -68.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -41.96 -49.86 4.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.36 -60.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.603 HG23 ' CE2' ' A' ' 28' ' ' PHE . 53.8 mt -42.71 -61.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.459 HG22 ' CB ' ' A' ' 25' ' ' MET . 54.9 t -49.26 -49.1 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.77 -59.8 4.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -47.58 -48.65 27.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.76 -47.88 82.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -45.01 -43.27 9.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 t 48.88 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.948 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 150.45 -170.31 30.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.17 40.47 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.801 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.8 t -74.4 134.29 42.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.5 p -144.21 133.11 22.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.961 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 58.2 101.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.995 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -127.83 -58.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.35 170.23 13.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.46 148.24 41.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -106.15 128.28 53.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.05 -92.33 0.27 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -174.51 145.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.58 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.73 139.62 14.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.92 168.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 59.28 85.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.41 136.18 33.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.3 m -102.89 161.61 13.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.953 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.472 HG13 ' CA ' ' A' ' 66' ' ' GLY . 93.9 t -117.54 150.73 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ptm -128.61 164.99 21.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.5 m -116.87 143.23 45.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.4 tp10 -136.14 145.28 45.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 6.7 tt0 -109.36 108.18 18.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.587 ' HB2' HD11 ' A' ' 64' ' ' LEU . 21.4 t80 -111.33 121.56 45.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.45 132.13 38.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 2.1 m -128.14 160.42 61.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.431 ' HG2' ' CG ' ' A' ' 25' ' ' MET . 18.4 Cg_endo -74.92 119.71 5.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -53.19 -24.44 10.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.13 -3.19 68.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.0 mmm -124.57 -40.27 2.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.599 ' O ' HD12 ' A' ' 30' ' ' ILE . 4.4 p -43.99 -50.79 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -48.71 -30.35 8.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.464 1.102 . . . . 0.0 110.976 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.725 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.1 t80 -94.29 -20.78 19.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 0.769 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.783 HG12 HG21 ' A' ' 81' ' ' ILE . 7.1 mt -65.58 -40.61 88.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -57.36 -62.42 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.83 60.66 1.07 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.71 85.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 110.251 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.55 -46.2 1.2 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 0.0 110.955 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.547 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 127.95 42.74 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -95.26 -29.64 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.74 -33.45 66.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.54 HD13 HG22 ' A' ' 29' ' ' ILE . 5.0 tp -82.52 -33.35 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.1 t -51.96 -57.48 9.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.69 -33.12 21.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.795 HD11 HD11 ' A' ' 81' ' ' ILE . 36.3 mt -74.77 -38.64 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.647 ' CG ' HD12 ' A' ' 48' ' ' ILE . 37.8 mt-30 -69.37 -34.29 74.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -82.19 -36.65 27.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.16 -55.6 32.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.727 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 87.8 p -87.28 -17.93 31.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.59 27.01 74.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -109.36 158.38 17.97 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -90.79 141.8 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.647 HD12 ' CG ' ' A' ' 41' ' ' GLN . 18.5 mt -132.86 106.15 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.19 102.74 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.647 HG23 ' SG ' ' A' ' 62' ' ' CYS . 3.9 mt -99.2 137.69 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.715 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . -68.39 160.72 74.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -32.61 5.18 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -146.55 155.6 42.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 55' ' ' GLY . 77.3 p -94.02 -69.04 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' N ' ' OG ' ' A' ' 54' ' ' SER . . . 52.09 93.8 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.557 1.161 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.17 -60.33 0.66 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.6 mm? -112.92 154.61 44.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.7 10.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.7 OUTLIER -94.94 134.74 37.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.715 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.0 tpm_? -88.61 123.8 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.433 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 11.8 t -72.72 138.08 46.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.647 ' SG ' HG23 ' A' ' 50' ' ' ILE . 59.8 m -129.31 115.32 17.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 108.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.6 mtp -83.22 116.43 22.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.587 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -97.86 148.78 23.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.8 m -144.26 128.47 17.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.375 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.472 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 142.27 -166.36 26.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.968 ' O ' HG23 ' A' ' 71' ' ' VAL . 8.4 p -57.37 162.62 4.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 110.415 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -35.53 3.05 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -70.48 -24.06 62.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 m -85.13 -33.69 22.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.042 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 67' ' ' THR . 80.3 t -61.91 -48.81 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -63.97 -52.54 59.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.73 -56.38 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.727 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -54.86 -50.66 68.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.559 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 4.5 mtpt -47.01 -53.49 12.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -49.38 -47.25 47.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.528 ' CB ' HG23 ' A' ' 40' ' ' ILE . 18.7 mt -62.57 -47.35 84.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.511 HD21 ' CD1' ' A' ' 37' ' ' ILE . 94.7 mt -56.87 -67.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -40.91 -46.78 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.19 -58.3 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.795 HD11 HD11 ' A' ' 40' ' ' ILE . 75.8 mt -41.19 -62.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.426 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 61.5 t -46.58 -58.87 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.07 -55.58 16.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -24.28 42.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -119.84 52.51 0.72 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.27 97.53 6.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.1 p -171.85 161.51 5.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.15 -85.66 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.85 40.82 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.812 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.3 m 54.71 103.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.8 t -146.84 79.65 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.954 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -176.93 156.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 t -84.18 169.65 14.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.74 65.64 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -111.92 133.64 53.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.754 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -139.16 140.53 37.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.16 155.99 23.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.415 1.072 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.28 153.04 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 0.795 . . . . 0.0 109.575 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.59 106.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -96.15 146.44 24.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.25 167.81 10.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.78 154.55 18.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.0 m 57.01 167.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.952 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.711 HG13 ' CA ' ' A' ' 66' ' ' GLY . 84.7 t -125.72 151.48 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ptm -128.75 165.14 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.1 m -110.28 150.39 28.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.6 tp10 -141.44 146.05 36.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 5.6 tt0 -110.36 107.71 17.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.566 ' HB2' HD11 ' A' ' 64' ' ' LEU . 20.3 t80 -115.37 125.47 53.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.35 134.25 42.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 60' ' ' ARG . 4.9 m -125.56 159.42 60.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.94 5.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' HA ' HG12 ' A' ' 26' ' ' VAL . 1.5 t70 -53.2 -22.91 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.06 -2.69 79.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.5 mmm -125.9 -40.38 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.695 ' O ' HD12 ' A' ' 30' ' ' ILE . 6.3 p -43.38 -51.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.503 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -47.93 -31.09 7.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.602 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.1 t80 -93.44 -20.76 20.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.745 HG12 HG21 ' A' ' 81' ' ' ILE . 7.9 mt -65.72 -41.94 91.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.695 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.9 mp -53.5 -57.18 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' ARG . . . 92.82 57.45 1.41 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' GLY . 6.8 mmm180 38.64 85.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.15 -42.89 1.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.463 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 121.09 39.07 0.61 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -94.47 -26.78 16.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -75.28 -34.15 61.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.575 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.4 tp -76.62 -46.17 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -44.2 -56.97 3.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -48.21 -31.95 6.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 110.245 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.74 HD11 HD11 ' A' ' 81' ' ' ILE . 33.3 mt -77.36 -38.63 27.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.655 ' CG ' HD12 ' A' ' 48' ' ' ILE . 64.7 mt-30 -68.58 -32.88 73.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -84.69 -38.78 19.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.01 -57.07 13.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.75 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 95.0 p -86.18 -19.9 29.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.954 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.94 25.1 75.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.74 157.63 17.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 9.3 tttp -88.01 142.53 27.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.655 HD12 ' CG ' ' A' ' 41' ' ' GLN . 21.8 mt -134.26 104.14 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -103.98 100.15 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.72 HG23 ' SG ' ' A' ' 62' ' ' CYS . 5.7 mt -94.11 126.7 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.941 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . -65.76 158.78 73.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -78.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.26 129.77 34.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.49 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.3 t -83.98 2.85 36.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.79 10.93 47.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.54 18.53 44.73 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 54' ' ' SER . 4.2 mm? -76.07 155.63 84.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.777 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -25.45 11.84 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.801 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -129.73 135.41 48.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.941 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 4.2 tpm_? -87.9 124.78 34.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -74.94 135.82 41.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.72 ' SG ' HG23 ' A' ' 50' ' ' ILE . 75.0 m -130.67 104.4 7.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.2 mmm -76.88 118.36 19.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.6 mp -99.77 150.53 22.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.6 m -144.51 126.92 15.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.711 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 146.6 -165.26 28.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.707 ' O ' HG23 ' A' ' 71' ' ' VAL . 38.7 p -57.14 161.82 4.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.24 3.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.802 . . . . 0.0 111.047 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.75 -19.81 61.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 110.241 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.9 m -87.6 -35.23 18.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.036 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 67' ' ' THR . 48.4 t -60.62 -46.76 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -66.49 -52.64 43.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.13 -48.57 23.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.75 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -62.93 -48.24 79.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.538 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 5.1 mtpm? -51.18 -49.44 60.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -53.23 -34.92 59.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.525 ' CB ' HG23 ' A' ' 40' ' ' ILE . 13.6 mt -75.43 -40.64 57.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 40' ' ' ILE . 87.1 mt -65.75 -62.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.23 -46.22 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -60.25 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.745 HG21 HG12 ' A' ' 29' ' ' ILE . 73.2 mt -41.16 -57.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.414 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 74.8 t -50.82 -58.56 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -51.3 -53.39 36.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -54.14 -21.06 7.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.418 ' HA3' ' HE1' ' A' ' 25' ' ' MET . . . -126.96 55.16 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.43 109.74 16.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.52 89.97 1.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.31 -73.64 1.06 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.466 1.103 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.83 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 97.9 p -178.52 125.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 t -163.93 79.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.015 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.8 p -106.71 131.72 53.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -64.18 133.95 53.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.039 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.1 142.67 6.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.53 98.78 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 110.014 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 m -118.14 163.28 16.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.28 153.02 8.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.11 163.94 31.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 109.607 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -123.92 172.73 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -167.11 152.77 7.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -135.38 154.57 51.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -143.11 -63.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.8 m -155.88 177.83 10.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.648 HG13 ' CA ' ' A' ' 66' ' ' GLY . 29.0 t -110.98 147.08 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 ptm -129.4 166.07 20.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.3 m -120.01 124.49 46.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -118.83 160.49 21.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -121.07 103.86 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.57 ' HB2' HD11 ' A' ' 64' ' ' LEU . 35.8 t80 -111.78 129.52 56.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -100.27 145.71 27.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' ARG . 3.1 m -136.0 160.31 67.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.407 ' HG2' ' CG ' ' A' ' 25' ' ' MET . 18.3 Cg_endo -74.98 118.63 5.34 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.469 ' HA ' HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -52.45 -22.36 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.83 6.37 62.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.7 mmm -133.61 -43.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 27' ' ' GLY . 9.5 p -43.27 -52.3 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.525 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.05 -30.89 4.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.635 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -94.29 -21.31 19.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.993 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.839 HG12 HG21 ' A' ' 81' ' ' ILE . 10.5 mt -65.94 -33.31 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.491 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.3 mp -64.42 -62.0 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.19 171.9 20.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.444 1.09 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -43.6 -58.91 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.306 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.23 36.38 3.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 66.79 31.23 77.72 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.81 -17.32 23.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -72.16 -39.73 68.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 48' ' ' ILE . 6.1 tp -77.67 -39.38 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 t -47.21 -53.89 12.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -35.31 59.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.52 HG23 ' HB2' ' A' ' 77' ' ' LEU . 32.2 mt -73.59 -38.05 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.697 ' HG3' HD12 ' A' ' 48' ' ' ILE . 34.3 mt-30 -69.9 -33.7 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -84.62 -37.1 21.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.65 -57.04 13.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.641 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 96.8 p -87.26 -19.27 28.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.73 21.78 79.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -103.19 158.41 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 12.2 ttmm -91.41 140.5 29.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.697 HD12 ' HG3' ' A' ' 41' ' ' GLN . 14.4 mt -131.22 108.8 15.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -108.42 102.58 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.443 HG23 ' SG ' ' A' ' 62' ' ' CYS . 8.3 mt -98.73 136.45 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.807 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . -65.84 155.82 85.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -120.37 126.09 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.409 ' HA ' ' NE ' ' A' ' 60' ' ' ARG . 42.1 p -65.94 -48.49 71.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.957 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.93 23.73 8.05 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.103 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.8 18.64 67.41 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.8 155.13 73.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.546 0.792 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -29.81 7.88 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.3 mp0 -130.88 138.5 49.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.807 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.1 tpm_? -88.28 126.41 35.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 t -78.71 134.05 37.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.965 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.443 ' SG ' HG23 ' A' ' 50' ' ' ILE . 55.6 m -129.35 114.35 16.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 93.9 mmm -85.08 118.63 24.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.2 mp -94.91 148.94 21.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 m -144.45 119.08 9.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.453 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.648 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 153.1 -162.5 30.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 71' ' ' VAL . 3.9 p -60.28 163.15 8.94 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.538 0.787 . . . . 0.0 110.394 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -36.08 2.79 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.53 1.805 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -74.0 -16.1 61.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.0 m -89.26 -34.08 16.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 67' ' ' THR . 55.2 t -63.43 -44.53 98.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -65.8 -55.99 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.29 -50.95 11.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.641 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.36 -55.94 28.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 4.7 mtpp -43.55 -47.84 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -54.77 -40.5 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.52 ' HB2' HG23 ' A' ' 40' ' ' ILE . 31.6 mt -70.08 -53.15 18.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.506 HD23 HD13 ' A' ' 40' ' ' ILE . 90.9 mt -52.48 -63.9 0.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' GLN . 59.1 t0 -43.82 -52.18 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER -38.79 -58.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.839 HG21 HG12 ' A' ' 29' ' ' ILE . 43.0 mt -43.42 -59.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.436 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 99.0 t -46.76 -57.72 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.05 -57.18 12.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -25.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -131.88 65.09 0.6 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.93 -41.84 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.3 m -71.71 168.48 17.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -168.98 -88.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -50.87 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.2 p -178.14 95.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 t -162.94 124.66 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.035 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -160.47 146.14 14.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.72 143.93 14.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.63 -165.6 10.88 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.57 1.169 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -164.82 138.45 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.02 151.13 42.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.937 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.99 -176.88 14.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -159.45 -62.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.623 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -52.28 144.32 13.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -167.78 123.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -124.02 172.04 9.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -111.82 -52.67 2.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -64.06 161.64 15.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.034 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.718 HG13 ' CA ' ' A' ' 66' ' ' GLY . 99.0 t -123.29 148.29 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.9 ptm -116.19 163.29 16.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.3 m -123.24 139.83 53.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.8 tp10 -130.04 146.48 51.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 16.1 tt0 -105.64 101.94 11.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.619 ' HB2' HD11 ' A' ' 64' ' ' LEU . 12.1 t80 -108.93 123.85 49.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -98.19 135.98 39.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 1.7 m -128.51 161.16 58.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 117.45 4.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.55 -30.81 21.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.21 -9.75 55.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.4 mmm -121.74 -37.69 2.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.594 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.8 p -44.16 -49.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -50.09 -29.92 15.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.593 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.5 t80 -94.27 -21.45 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.724 HG12 HG21 ' A' ' 81' ' ' ILE . 6.6 mt -64.57 -43.1 96.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -53.69 -66.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.55 167.67 33.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.161 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -55.75 107.39 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.09 4.46 72.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.01 37.38 18.99 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -87.54 -25.26 23.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -69.14 -37.43 78.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.481 HD13 HG22 ' A' ' 29' ' ' ILE . 5.2 tp -80.75 -37.12 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.11 -52.89 31.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -53.84 -33.94 57.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.801 HD11 HD11 ' A' ' 81' ' ' ILE . 31.9 mt -74.35 -38.81 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.578 ' CG ' HD12 ' A' ' 48' ' ' ILE . 34.6 mt-30 -70.29 -32.49 70.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -87.1 -31.4 20.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 3.2 mm-40 -62.49 -54.0 46.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.735 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 77.4 p -89.75 -16.38 30.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.76 20.1 77.21 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.34 158.1 16.57 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.62 144.75 25.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.578 HD12 ' CG ' ' A' ' 41' ' ' GLN . 18.7 mt -135.26 106.83 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -104.08 107.6 18.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.479 HG23 ' SG ' ' A' ' 62' ' ' CYS . 8.2 mt -105.2 136.34 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.808 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . -66.96 154.54 92.18 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -41.68 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -121.49 130.69 53.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.329 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.42 ' HA ' ' NE ' ' A' ' 60' ' ' ARG . 69.3 p -76.6 -35.41 58.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.05 -81.45 0.51 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.16 29.55 0.2 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.93 154.7 37.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -30.52 7.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 2.4 mp0 -121.56 140.25 52.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.808 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.1 tpm_? -87.53 129.9 34.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 t -78.54 127.6 32.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.479 ' SG ' HG23 ' A' ' 50' ' ' ILE . 56.6 m -125.12 115.47 20.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 108.294 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 93.6 mmm -88.56 116.04 26.51 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.8 mp -95.22 152.06 18.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.464 HG22 HG11 ' A' ' 14' ' ' VAL . 90.8 m -143.72 124.23 13.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.363 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.718 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 147.02 -166.07 28.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 71' ' ' VAL . 42.8 p -56.55 161.31 4.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 110.431 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -34.01 4.11 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.51 -23.7 60.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.5 m -80.86 -38.39 28.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 67' ' ' THR . 42.4 t -61.23 -47.65 92.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -61.2 2.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 m -44.87 -54.72 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.735 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -53.13 -53.95 42.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -44.06 -54.08 5.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -50.25 -43.86 53.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.25 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.509 ' CB ' HG23 ' A' ' 40' ' ' ILE . 51.6 mt -63.26 -38.61 91.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.525 HD23 HD13 ' A' ' 40' ' ' ILE . 96.0 mt -69.84 -66.31 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -41.63 -34.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -59.31 5.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.801 HD11 HD11 ' A' ' 40' ' ' ILE . 86.6 mt -40.32 -54.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.2 t -52.05 -55.35 10.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.27 -53.75 54.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.37 -26.4 4.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -123.58 51.3 0.81 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.54 -44.78 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.5 m -89.98 -61.7 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.983 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.89 -152.69 8.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 130.09 12.93 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.53 111.8 23.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.964 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.6 t -134.44 134.58 41.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.103 . . . . 0.0 110.016 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.427 1.079 . . . . 0.0 111.004 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -164.56 168.35 18.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 0.0 110.008 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 p -156.81 163.94 38.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.036 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.23 129.28 1.26 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.43 126.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.961 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -178.72 132.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.026 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.53 175.13 27.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -157.22 113.29 2.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.626 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.85 138.31 9.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -139.65 79.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -172.3 133.82 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.12 119.81 26.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.252 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.6 p -150.1 167.98 25.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.467 HG13 ' CA ' ' A' ' 66' ' ' GLY . 49.8 t -134.85 144.0 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.819 ' CE ' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -131.22 165.41 23.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -119.2 133.49 55.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 24.8 tp10 -125.48 145.93 49.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 15.7 tt0 -101.57 100.69 11.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.231 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.412 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 23.5 t80 -108.22 121.88 45.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.34 142.99 27.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' ARG . 8.8 m -134.66 159.2 73.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 118.34 5.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.472 ' HA ' HG12 ' A' ' 26' ' ' VAL . 7.6 t0 -52.63 -25.45 10.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.27 -3.44 65.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' PHE . 91.2 mmm -125.74 -39.97 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 27' ' ' GLY . 6.1 p -43.04 -50.93 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.494 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -49.89 -33.08 19.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.672 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -90.48 -22.59 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.707 HG12 HG21 ' A' ' 81' ' ' ILE . 3.8 mt -63.71 -42.07 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.411 HG22 ' HA2' ' A' ' 34' ' ' GLY . 8.2 mt -56.92 -72.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.57 166.88 13.76 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.41 -48.55 1.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 110.311 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.55 28.71 3.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 70.15 32.76 69.06 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -91.72 -19.35 22.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -73.45 -36.84 65.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.253 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.696 HD13 HG22 ' A' ' 29' ' ' ILE . 3.3 tp -80.61 -36.0 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.9 t -52.81 -53.73 44.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -52.07 -31.26 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.707 HG23 ' HB2' ' A' ' 77' ' ' LEU . 29.5 mt -76.87 -38.74 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.577 ' HG3' HD12 ' A' ' 48' ' ' ILE . 46.4 mt-30 -68.6 -35.06 76.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -82.98 -37.16 24.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' HB3' HD11 ' A' ' 77' ' ' LEU . 8.8 mm-40 -57.22 -55.23 37.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.801 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 97.3 p -87.89 -19.31 27.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.09 26.41 73.85 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.54 157.26 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.35 144.78 25.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.577 HD12 ' HG3' ' A' ' 41' ' ' GLN . 20.6 mt -135.36 105.88 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -104.22 108.43 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.098 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.657 HG23 ' SG ' ' A' ' 62' ' ' CYS . 4.0 mt -104.51 126.97 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.955 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . -65.72 158.87 72.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -63.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.13 140.5 29.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' GLY . 59.9 p -93.1 23.01 4.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.3 -90.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' SER . . . -157.04 26.18 0.49 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -100.46 154.3 37.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.339 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -29.87 7.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.3 mp0 -112.58 140.78 47.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.955 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.0 tpm_? -88.96 126.01 35.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.252 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -73.61 136.77 43.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.657 ' SG ' HG23 ' A' ' 50' ' ' ILE . 80.9 m -130.7 118.46 20.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.4 mtp -86.52 118.96 26.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.412 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.4 mp -101.67 147.47 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.7 m -144.5 128.45 17.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.467 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 143.93 -168.75 26.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.866 ' O ' HG23 ' A' ' 71' ' ' VAL . 9.6 p -51.34 162.18 0.69 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 110.379 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.78 2.93 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.788 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.54 -28.62 62.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.2 m -72.99 -42.26 63.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 67' ' ' THR . 65.6 t -56.57 -52.1 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -58.62 -48.6 80.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.56 -50.85 64.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.801 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -64.3 -44.26 92.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.601 ' HE2' HG12 ' A' ' 71' ' ' VAL . 29.0 mtmt -49.56 -43.42 45.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -64.7 -53.23 50.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.707 ' HB2' HG23 ' A' ' 40' ' ' ILE . 71.9 mt -53.01 -31.64 42.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.496 HD23 HD13 ' A' ' 40' ' ' ILE . 96.3 mt -76.78 -67.78 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -42.32 -40.45 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -60.98 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.707 HG21 HG12 ' A' ' 29' ' ' ILE . 32.5 mt -40.36 -58.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.0 t -45.06 -60.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.3 -56.72 16.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -43.89 -30.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -117.25 46.64 1.12 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 88' ' ' GLY . 2.0 mtt180 -126.41 -174.6 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 0.784 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.9 -74.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.978 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 86' ' ' ARG . . . -156.52 -149.79 5.47 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.475 1.11 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 91' ' ' SER . 18.3 Cg_endo -74.98 -30.12 7.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.813 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.94 -83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 89' ' ' PRO . 67.1 m -125.93 99.83 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t 72.04 -59.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 0.772 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -133.84 109.67 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.79 137.13 2.2 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.442 1.089 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -170.89 96.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 p -152.91 112.66 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.63 134.54 35.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -157.92 73.09 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.577 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -102.03 144.34 30.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -149.28 104.64 3.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.16 -171.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.54 -176.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.73 151.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.589 HG13 ' CA ' ' A' ' 66' ' ' GLY . 15.7 t -133.02 147.38 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.529 ' SD ' HG21 ' A' ' 71' ' ' VAL . 3.6 ppp? -136.11 165.26 26.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.2 m -121.68 132.07 54.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.426 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -130.91 147.59 52.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -105.56 99.69 9.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.533 ' CD1' ' HE2' ' A' ' 75' ' ' LYS . 35.8 t80 -105.71 116.7 32.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -92.36 141.14 28.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -132.85 162.75 55.59 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.25 4.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -53.24 -28.56 27.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.05 -6.39 52.63 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.4 ' HE2' ' HA ' ' A' ' 82' ' ' VAL . 91.2 mmm -121.81 -40.32 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 0.72 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.7 p -43.79 -48.43 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.5 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.61 -30.95 4.88 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.469 1.105 . . . . 0.0 111.037 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.64 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -94.38 -24.11 17.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.797 HG12 HG21 ' A' ' 81' ' ' ILE . 38.6 mt -64.14 -33.51 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.5 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.8 mt -61.04 -60.37 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.46 59.89 1.33 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.3 90.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.746 . . . . 0.0 110.312 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.41 -39.15 2.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.462 ' HA2' ' CG2' ' A' ' 30' ' ' ILE . . . 119.18 36.49 0.87 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -89.32 -27.77 20.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -73.66 -34.83 65.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.683 HD13 HG22 ' A' ' 29' ' ' ILE . 3.1 tp -77.01 -48.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 37' ' ' ILE . 22.9 t -44.07 -50.08 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.06 -33.77 53.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.727 HG23 ' CB ' ' A' ' 77' ' ' LEU . 22.0 mt -76.6 -37.74 29.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.696 ' CG ' HD12 ' A' ' 48' ' ' ILE . 33.6 mt-30 -69.76 -31.57 69.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -85.68 -34.11 21.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.2 -51.49 66.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.754 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 72.9 p -89.91 -16.87 29.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.02 25.56 73.31 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.05 157.74 17.59 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -89.53 142.95 27.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.696 HD12 ' CG ' ' A' ' 41' ' ' GLN . 29.5 mt -135.39 102.12 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -96.81 100.12 11.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.492 HG23 ' SG ' ' A' ' 62' ' ' CYS . 5.6 mt -100.6 120.78 50.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.933 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . -66.2 160.27 65.78 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -75.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 5.2 m-20 -82.96 130.83 35.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.9 OUTLIER -87.78 43.52 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 36.99 -95.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 54' ' ' SER . . . -151.16 22.4 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.06 154.12 39.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -29.85 7.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.778 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 15.2 mp0 -109.37 142.49 40.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.933 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 4.0 tpm_? -90.45 124.66 35.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.7 t -72.92 128.25 34.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.492 ' SG ' HG23 ' A' ' 50' ' ' ILE . 56.8 m -125.73 109.51 12.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 108.277 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 89.5 mmm -81.13 123.07 28.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.456 HD11 ' CB ' ' A' ' 19' ' ' TYR . 1.7 mp -103.37 146.35 28.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.3 m -144.29 125.84 14.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.589 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 150.7 -151.38 23.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.135 . . . . 0.0 111.036 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.713 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.2 p -75.16 163.4 68.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.98 7.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.11 -18.97 60.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.404 ' HG ' ' HG1' ' A' ' 67' ' ' THR . 38.4 m -91.71 -36.21 13.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 67' ' ' THR . 54.1 t -61.04 -39.3 81.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.45 -58.54 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 m -47.53 -51.43 20.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.754 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -59.01 -52.85 64.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.533 ' HE2' ' CD1' ' A' ' 19' ' ' TYR . 6.0 mtpm? -45.29 -48.08 13.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -55.02 -52.78 62.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.727 ' CB ' HG23 ' A' ' 40' ' ' ILE . 17.4 mt -54.0 -31.55 51.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.7 mt -74.87 -66.18 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -44.84 -49.24 10.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -41.77 -56.28 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.797 HG21 HG12 ' A' ' 29' ' ' ILE . 19.4 mt -47.61 -49.02 10.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.4 ' HA ' ' HE2' ' A' ' 25' ' ' MET . 59.9 t -63.31 -57.45 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.586 1.179 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -49.78 -43.34 48.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -39.5 93.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -113.31 59.24 0.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -43.93 7.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 0.0 110.351 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -144.18 121.85 11.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.91 99.81 1.81 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 102.59 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.9 t 53.66 95.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.8 t -66.31 -57.08 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 p -117.41 88.58 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.742 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -106.58 150.07 26.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.62 98.75 0.98 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.439 1.087 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -62.39 120.27 10.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.779 . . . . 0.0 109.978 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -126.52 157.03 39.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.52 65.1 0.34 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -102.1 155.2 18.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.561 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -170.03 125.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 178.76 126.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -146.98 154.57 41.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -174.48 129.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.8 m 58.91 167.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.703 HG13 ' CA ' ' A' ' 66' ' ' GLY . 94.1 t -125.92 148.52 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.7 ptm -121.29 161.11 22.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -116.73 143.56 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.425 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 9.4 tp10 -136.14 145.98 46.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 11.3 tt0 -107.77 98.11 7.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 36.6 t80 -101.47 129.47 47.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -103.29 148.78 25.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.88 160.89 58.95 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.483 ' HG2' HG22 ' A' ' 82' ' ' VAL . 18.3 Cg_endo -75.04 121.45 6.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.773 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.531 ' HA ' HG12 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -52.86 -24.92 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.9 0.51 65.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.463 ' CG ' ' HG2' ' A' ' 22' ' ' PRO . 88.7 mmm -127.58 -40.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.838 HG21 ' HG2' ' A' ' 60' ' ' ARG . 10.9 p -43.23 -52.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.526 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.42 -30.94 4.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.677 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.3 t80 -94.26 -21.57 18.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.897 HG12 HG21 ' A' ' 81' ' ' ILE . 5.2 mt -64.99 -42.49 94.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -55.08 -64.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' GLY . . . 105.96 55.07 0.7 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.13 -77.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' GLY . . . -89.58 -24.43 30.78 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.525 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 114.94 36.45 1.24 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -94.86 -19.4 20.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.766 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -73.84 -34.9 64.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.752 HD12 HD12 ' A' ' 40' ' ' ILE . 10.7 tp -77.01 -47.76 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' HG23 ' A' ' 37' ' ' ILE . 2.2 t -42.47 -53.35 4.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.011 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.41 -35.74 40.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.752 HD12 HD12 ' A' ' 37' ' ' ILE . 32.7 mt -72.92 -37.88 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.619 ' HG3' HD12 ' A' ' 48' ' ' ILE . 49.8 mt-30 -69.93 -34.62 73.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -84.64 -25.28 28.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -76.06 -43.47 43.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 1.052 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.5 OUTLIER -98.99 -2.42 37.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.046 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.43 35.6 21.74 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -121.66 156.01 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -86.64 143.97 27.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.619 HD12 ' HG3' ' A' ' 41' ' ' GLN . 24.9 mt -136.13 103.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.59 100.18 10.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.508 HG23 ' SG ' ' A' ' 62' ' ' CYS . 9.9 mt -95.61 131.05 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.998 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . -67.02 160.8 68.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -80.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.32 117.26 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.522 ' O ' HD12 ' A' ' 57' ' ' LEU . 41.0 t -70.63 -6.64 38.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.27 7.79 73.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.63 -0.62 65.41 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -48.93 160.0 0.52 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.21 11.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 111.037 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.56 139.33 46.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.998 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 7.0 tpm_? -85.41 111.88 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.238 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.404 ' N ' ' HE ' ' A' ' 60' ' ' ARG . 31.3 t -65.21 132.42 49.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.508 ' SG ' HG23 ' A' ' 50' ' ' ILE . 62.3 m -129.8 118.42 21.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.8 mtp -90.64 122.1 33.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.414 ' CD2' HG12 ' A' ' 48' ' ' ILE . 1.6 mp -103.11 152.55 21.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.5 m -144.25 125.52 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.441 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.703 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 144.95 -162.0 28.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.914 ' O ' HG23 ' A' ' 71' ' ' VAL . 28.0 p -63.33 162.14 27.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.428 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.85 4.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.24 -25.41 63.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 m -84.3 -37.32 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.993 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 67' ' ' THR . 87.5 t -60.71 -48.44 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.51 -50.97 69.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.1 m -51.18 -45.95 61.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.052 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -66.94 -40.42 87.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.583 ' HE2' HG12 ' A' ' 71' ' ' VAL . 28.4 mtmt -54.86 -43.66 73.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.59 -37.99 76.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.71 ' CB ' HG23 ' A' ' 40' ' ' ILE . 3.2 mt -70.1 -41.15 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.549 HD23 HD13 ' A' ' 40' ' ' ILE . 68.3 mt -70.11 -40.34 74.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -67.9 -46.1 72.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -55.15 11.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.897 HG21 HG12 ' A' ' 29' ' ' ILE . 70.3 mt -41.21 -57.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.483 HG22 ' HG2' ' A' ' 22' ' ' PRO . 75.8 t -48.52 -64.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -49.85 -52.29 33.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.87 -24.57 9.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -129.09 67.09 0.56 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -120.83 -44.16 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.778 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.9 m 57.59 160.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.022 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 174.11 -87.43 0.08 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.54 35.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 99.0 p -164.15 155.13 15.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 48.09 82.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.09 . . . . 0.0 110.028 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -153.19 88.2 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p -177.26 91.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.97 -113.75 0.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 p 179.2 132.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -96.92 149.4 21.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.29 134.25 11.68 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -124.62 167.81 14.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.442 0.731 . . . . 0.0 109.547 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 54.71 89.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.74 155.69 20.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -142.43 -172.7 3.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 171.15 -51.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.0 m -51.19 163.79 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.987 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.622 HG13 ' CA ' ' A' ' 66' ' ' GLY . 72.3 t -129.78 147.69 33.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 ptm -126.67 161.37 28.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.5 m -111.99 141.6 45.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 6.0 tp10 -134.52 145.52 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 11.9 tt0 -107.89 98.73 8.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.543 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 12.1 t80 -103.92 129.55 51.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -101.84 140.93 35.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 3.1 m -134.25 160.05 69.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 117.71 5.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -53.78 -23.87 13.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.61 -9.78 78.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.4 mmm -119.58 -35.74 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.58 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.6 p -44.82 -49.66 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -50.11 -29.71 15.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.643 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -94.13 -23.86 17.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 111.002 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.614 HG22 ' CD1' ' A' ' 37' ' ' ILE . 4.1 mt -62.28 -43.51 98.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.604 HG22 ' HA2' ' A' ' 34' ' ' GLY . 1.2 mp -53.17 -58.57 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.64 169.08 21.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -40.48 -60.25 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.283 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.59 41.8 1.8 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.604 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 60.78 25.93 64.4 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -90.0 -27.24 19.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -60.59 -40.33 91.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.27 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.614 ' CD1' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -77.73 -38.8 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 t -51.47 -46.39 63.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -31.54 67.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.832 HD11 HD11 ' A' ' 81' ' ' ILE . 16.3 mt -79.74 -36.67 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.672 ' HG3' HD12 ' A' ' 48' ' ' ILE . 38.6 mt-30 -69.48 -31.63 70.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -86.72 -37.38 17.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -58.33 -55.28 37.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.733 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 87.3 p -86.62 -17.47 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.34 30.09 76.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -111.59 158.38 19.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -89.19 141.25 28.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.672 HD12 ' HG3' ' A' ' 41' ' ' GLN . 25.5 mt -133.68 102.66 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -103.12 99.96 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 7.3 mt -95.21 125.42 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.935 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . -67.02 159.92 73.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -75.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.61 126.44 33.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.447 ' HA ' ' CZ ' ' A' ' 60' ' ' ARG . 3.0 p -86.14 46.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . . . 36.63 -96.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 54' ' ' SER . . . -150.52 24.2 1.07 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -93.84 153.65 40.97 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.41 10.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.1 mt-10 -111.15 144.03 40.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.935 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 4.4 tpm_? -91.55 119.77 31.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.8 t -70.59 129.43 39.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' A' ' 50' ' ' ILE . 61.6 m -123.55 112.45 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.38 115.24 20.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.432 HD11 ' CB ' ' A' ' 19' ' ' TYR . 1.9 mp -98.88 146.84 25.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.7 m -142.28 124.72 15.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.622 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 148.92 -162.24 28.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.927 ' O ' HG23 ' A' ' 71' ' ' VAL . 21.7 p -65.07 163.19 32.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.382 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.73 2.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -24.25 65.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.1 m -88.88 -29.79 19.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.927 HG23 ' O ' ' A' ' 67' ' ' THR . 60.2 t -66.22 -45.2 90.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -67.47 -51.48 50.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.44 -51.46 46.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.733 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.63 -52.4 65.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.543 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 6.9 mtpm? -47.77 -51.75 21.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.233 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -50.22 -44.85 53.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.599 ' CB ' HG23 ' A' ' 40' ' ' ILE . 10.6 mt -61.53 -55.85 26.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.419 HD23 HD13 ' A' ' 40' ' ' ILE . 97.2 mt -49.13 -63.16 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -45.51 -53.83 8.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.47 -59.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.832 HD11 HD11 ' A' ' 40' ' ' ILE . 97.6 mt -44.15 -62.07 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 79.5 t -45.74 -53.74 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.49 -59.3 5.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -48.11 25.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.59 -82.65 0.22 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.78 76.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.6 p -103.56 114.51 28.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.06 -145.0 0.88 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.04 41.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.56 1.821 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.9 t -52.92 102.22 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.973 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 m -150.33 77.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.77 161.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 0.729 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 p -177.83 110.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.84 147.54 11.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.72 136.27 37.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.974 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.5 p -110.86 108.83 18.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.66 -170.12 20.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.02 82.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.591 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -86.69 98.73 11.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.18 85.18 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.3 106.7 14.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -113.49 -60.82 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.9 p -173.22 163.75 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.47 HG13 ' CA ' ' A' ' 66' ' ' GLY . 33.0 t -94.84 146.77 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -128.23 166.59 18.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 m -125.99 122.35 35.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.473 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -122.86 162.09 22.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -121.88 97.9 5.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.53 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 37.6 t80 -102.45 129.29 48.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -102.35 139.89 37.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 2.5 m -131.36 160.46 67.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.95 5.45 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.462 1.769 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.485 ' HA ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -53.06 -23.4 7.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.18 -4.13 77.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' PHE . 99.0 mmm -124.29 -39.46 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.63 ' O ' HD12 ' A' ' 30' ' ' ILE . 9.8 p -43.34 -51.04 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.505 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.14 -31.62 4.55 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.542 1.152 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.743 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -93.33 -21.44 19.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 0.742 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.616 HG22 HD13 ' A' ' 37' ' ' ILE . 17.4 mt -64.71 -42.12 94.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.639 HG22 ' HA2' ' A' ' 34' ' ' GLY . 1.3 mp -56.93 -62.76 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.95 176.58 51.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.26 117.08 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 48.85 37.6 21.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.639 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 58.4 42.51 95.76 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -89.7 -33.44 16.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.769 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -59.94 -40.6 89.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.616 HD13 HG22 ' A' ' 29' ' ' ILE . 6.0 tp -75.98 -44.86 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 t -44.09 -46.8 8.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -35.45 74.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.648 HD11 HD11 ' A' ' 81' ' ' ILE . 34.6 mt -74.1 -36.31 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.608 ' HG3' HD12 ' A' ' 48' ' ' ILE . 38.8 mt-30 -70.77 -34.83 72.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -83.15 -37.49 23.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -55.57 -57.05 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.764 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 89.4 p -86.8 -19.16 29.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.12 22.12 78.94 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.435 1.084 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -103.68 157.65 16.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 9.4 ttpt -89.04 144.52 26.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.608 HD12 ' HG3' ' A' ' 41' ' ' GLN . 25.2 mt -136.53 105.59 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -102.12 100.25 10.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.646 HG23 ' SG ' ' A' ' 62' ' ' CYS . 6.0 mt -97.45 126.06 50.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.011 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . -65.86 159.36 70.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -81.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.78 121.03 26.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.524 ' O ' HD23 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -69.64 -25.45 63.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.024 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.73 20.93 52.7 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.547 1.155 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.6 20.12 60.6 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 54' ' ' SER . 4.3 mm? -77.15 155.83 82.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.44 8.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -129.95 139.02 51.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 1.011 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 6.2 tpm_? -85.41 115.77 23.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 t -67.67 134.06 50.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.646 ' SG ' HG23 ' A' ' 50' ' ' ILE . 74.1 m -132.28 120.95 22.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 108.325 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.1 mmm -91.92 119.35 31.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 1.4 mp -98.54 146.65 25.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.447 HG22 HG11 ' A' ' 14' ' ' VAL . 67.6 m -144.42 123.88 13.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 149.43 -164.44 29.38 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 p -58.35 162.5 5.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.97 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.437 1.756 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -14.2 61.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -91.8 -42.06 10.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.2 t -61.03 -37.25 76.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -49.27 43.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.239 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -57.24 -49.3 76.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.968 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.764 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -57.9 -50.78 72.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.53 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 3.9 mtpm? -47.43 -51.81 18.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -51.04 -43.74 60.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.475 ' CB ' HG23 ' A' ' 40' ' ' ILE . 45.3 mt -64.08 -44.3 92.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.577 HD23 HD13 ' A' ' 40' ' ' ILE . 84.7 mt -61.4 -61.79 2.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' GLN . 4.1 t0 -46.87 -54.95 8.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -38.6 -61.87 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.743 HG23 ' CE2' ' A' ' 28' ' ' PHE . 42.6 mt -40.53 -56.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.448 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 97.1 t -52.72 -57.44 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -51.6 -52.75 44.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -24.19 32.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -125.08 54.0 0.76 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -106.24 79.14 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 110.251 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.6 t -150.33 -65.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 173.11 -151.2 13.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.88 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.33 165.96 12.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.47 135.87 47.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -179.1 119.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 p -144.5 97.59 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.11 134.79 5.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -178.79 150.67 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -158.24 159.66 36.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.93 -173.17 24.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -122.09 167.44 13.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.76 . . . . 0.0 109.588 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.52 130.1 5.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.26 123.34 28.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.256 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -143.58 104.25 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -179.42 162.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.96 155.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.607 HG13 ' N ' ' A' ' 66' ' ' GLY . 87.6 t -134.46 145.21 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.62 ' SD ' HG21 ' A' ' 71' ' ' VAL . 3.6 ppp? -140.86 161.98 36.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.5 m -116.13 125.57 52.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -122.72 169.36 11.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -122.34 101.01 7.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -109.93 112.95 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.87 144.71 26.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 4.2 m -136.85 159.77 68.9 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -51.79 -27.19 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.82 -8.56 57.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 28' ' ' PHE . 99.1 mmm -121.47 -38.15 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.586 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.4 p -44.09 -49.75 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.492 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -48.48 -30.72 8.57 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.431 1.082 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.717 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -94.28 -21.8 18.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.962 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.8 HG12 HG21 ' A' ' 81' ' ' ILE . 5.1 mt -64.89 -41.38 92.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.712 HG22 ' HA2' ' A' ' 34' ' ' GLY . 1.2 mp -56.52 -61.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.37 175.86 49.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.59 115.1 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 56.54 27.88 55.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.712 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 64.46 43.3 96.89 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -90.65 -33.97 15.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -58.36 -37.35 75.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.623 HD13 HG22 ' A' ' 29' ' ' ILE . 7.7 tp -79.68 -43.34 23.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -44.13 -46.73 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -35.95 77.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.754 HD11 HD11 ' A' ' 81' ' ' ILE . 35.4 mt -73.48 -36.58 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.632 ' HG3' HD12 ' A' ' 48' ' ' ILE . 27.7 mt-30 -70.55 -35.17 72.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -83.7 -37.38 22.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -55.55 -56.55 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.881 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 89.3 p -87.45 -19.11 28.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.67 26.25 73.37 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -109.7 155.38 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 1.1 tttt -87.36 144.84 26.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.632 HD12 ' HG3' ' A' ' 41' ' ' GLN . 17.5 mt -135.97 105.55 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -104.11 99.89 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.805 HG23 ' SG ' ' A' ' 62' ' ' CYS . 6.3 mt -97.05 127.88 48.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.939 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . -69.84 160.67 79.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -42.12 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.479 1.778 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 2.3 t0 -124.58 152.57 43.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.545 ' O ' HD23 ' A' ' 57' ' ' LEU . 4.6 p -116.93 24.4 11.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.3 11.09 38.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.59 16.51 48.82 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 54' ' ' SER . 3.9 mm? -71.7 155.27 92.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -8.87 20.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 9.9 mp0 -140.57 133.96 29.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.244 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.939 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 1.6 tpt180 -86.65 127.84 34.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.449 ' O ' ' NE ' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -79.13 112.29 16.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.805 ' SG ' HG23 ' A' ' 50' ' ' ILE . 62.4 m -109.26 123.56 49.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 108.289 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.5 mtp -93.93 127.38 39.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 2.0 mp -107.22 149.53 27.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 49.7 m -144.49 125.49 14.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.412 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.607 ' N ' HG13 ' A' ' 14' ' ' VAL . . . 148.79 -161.71 28.74 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.951 ' O ' HG23 ' A' ' 71' ' ' VAL . 43.3 p -61.15 161.86 15.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.74 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.93 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -17.76 64.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.9 m -89.05 -38.7 14.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.951 HG23 ' O ' ' A' ' 67' ' ' THR . 58.4 t -58.87 -45.44 91.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -67.48 -49.06 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -50.92 62.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.881 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -62.15 -42.09 98.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -52.28 -50.77 61.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -53.36 -43.54 67.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.513 ' CB ' HG23 ' A' ' 40' ' ' ILE . 17.7 mt -63.36 -51.62 65.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.427 HD23 HD13 ' A' ' 40' ' ' ILE . 88.1 mt -53.5 -68.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.75 -46.86 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.66 -61.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.8 HG21 HG12 ' A' ' 29' ' ' ILE . 57.1 mt -41.45 -58.73 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.405 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 52.9 t -48.07 -59.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -52.84 -55.48 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 110.278 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -26.41 15.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -122.47 62.2 0.55 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.15 80.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 110.259 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.0 p -155.16 158.6 39.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 167.39 -124.48 1.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.45 3.8 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.87 -57.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.79 125.12 25.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -134.33 111.71 10.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 109.968 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 m -133.11 137.59 46.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.002 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.52 155.37 7.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.33 171.43 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -176.06 150.4 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.026 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.83 102.35 0.82 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -134.25 150.52 51.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 109.637 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -122.98 -72.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.46 162.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 53.08 101.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -156.14 117.68 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 m -68.45 171.03 7.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.9 t -121.09 146.07 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.4 ptm -126.04 162.09 26.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.5 m -119.16 132.56 55.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 8.8 tp10 -129.6 146.48 51.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 13.9 tt0 -105.96 99.08 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.457 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 22.6 t80 -104.07 119.89 39.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -94.78 130.04 41.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -122.25 163.12 33.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.32 3.53 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.767 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.91 -32.48 20.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.63 -10.63 45.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.8 mmm -120.0 -38.66 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.753 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -43.31 -49.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.542 ' HA2' HD12 ' A' ' 30' ' ' ILE . . . -48.5 -32.89 10.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.567 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.4 t80 -91.27 -21.55 21.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.57 HG22 HD13 ' A' ' 37' ' ' ILE . 4.8 mt -67.29 -31.24 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.57 HG22 ' HA2' ' A' ' 34' ' ' GLY . 2.8 mt -62.31 -59.41 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.09 -175.84 32.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.57 95.3 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.84 16.46 65.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.57 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 74.53 39.76 40.84 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -93.2 -26.89 17.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -66.31 -32.17 73.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.57 HD13 HG22 ' A' ' 29' ' ' ILE . 7.6 tp -83.68 -44.99 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.36 -50.1 6.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.89 -35.22 68.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.671 HD11 ' CD1' ' A' ' 81' ' ' ILE . 51.1 mt -72.99 -38.97 57.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.445 ' HG3' HD12 ' A' ' 48' ' ' ILE . 55.7 mt-30 -70.28 -32.73 70.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -84.61 -33.71 23.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.75 -54.5 44.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.249 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.779 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 78.0 p -89.3 -16.53 30.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.09 20.66 78.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.37 156.2 18.76 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.19 145.37 25.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.445 HD12 ' HG3' ' A' ' 41' ' ' GLN . 21.9 mt -135.56 105.15 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -101.54 101.21 11.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.491 HG23 ' SG ' ' A' ' 62' ' ' CYS . 8.5 mt -99.84 124.28 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.785 ' HB3' ' NE ' ' A' ' 60' ' ' ARG . . . -66.15 152.45 93.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -62.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -91.04 109.09 20.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 p -87.47 12.51 12.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.48 10.58 43.79 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.45 -4.14 82.58 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.64 165.3 0.13 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -27.13 10.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.781 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 2.5 mp0 -138.33 127.83 24.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.785 ' NE ' ' HB3' ' A' ' 51' ' ' ALA . 1.6 tpt180 -85.28 134.61 34.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.448 ' O ' ' NE ' ' A' ' 60' ' ' ARG . 3.0 t -77.09 128.48 34.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.491 ' SG ' HG23 ' A' ' 50' ' ' ILE . 58.5 m -122.7 107.26 11.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.315 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 97.6 mmm -78.99 116.61 19.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mp -96.37 151.97 19.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 62.5 m -144.35 128.92 18.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.66 -168.72 25.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.6 p -54.31 161.9 1.81 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.766 . . . . 0.0 110.402 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -37.03 2.21 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -21.52 62.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 m -83.36 -39.93 20.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 75' ' ' LYS . 12.3 t -60.41 -42.97 92.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.41 -53.04 48.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.1 m -53.29 -50.17 65.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.968 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.779 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.12 -47.34 83.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.457 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 13.9 mtpt -49.52 -56.11 11.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -47.21 -47.64 24.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -57.21 -41.78 80.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.588 HD23 HD13 ' A' ' 40' ' ' ILE . 66.1 mt -64.75 -68.36 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -43.08 -29.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -62.41 -66.07 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.671 ' CD1' HD11 ' A' ' 40' ' ' ILE . 75.1 mt -42.19 -47.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.4 t -58.77 -57.19 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -49.15 71.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -46.65 -34.66 5.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -126.23 65.05 0.57 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.34 72.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 0.801 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 m -85.91 -65.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.78 -172.78 22.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 91.05 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.3 t -105.16 143.45 33.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.33 103.92 5.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -171.92 -58.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 0.764 . . . . 0.0 109.956 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -114.69 167.03 11.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.04 -121.2 2.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.51 90.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -172.6 142.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.84 124.6 0.72 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.45 117.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 109.619 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.6 173.39 12.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -137.7 159.24 42.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -154.46 105.07 2.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.53 176.3 5.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 m 60.72 167.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.03 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.739 HG13 ' CA ' ' A' ' 66' ' ' GLY . 89.2 t -137.2 151.16 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ptm -131.12 160.77 33.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.2 m -111.82 154.03 25.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 18' ' ' GLU . 8.7 tt0 -151.22 138.37 19.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 29.0 tt0 -97.67 97.75 9.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 67.2 t80 -99.74 122.55 42.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.446 ' O ' HG13 ' A' ' 21' ' ' VAL . 9.8 mmtp -89.61 155.05 19.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -153.59 162.57 26.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.402 ' HG3' HG11 ' A' ' 82' ' ' VAL . 18.3 Cg_endo -74.98 117.82 5.05 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.76 -18.94 24.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.51 -6.61 86.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.466 ' O ' ' N ' ' A' ' 28' ' ' PHE . 95.4 mmm -123.64 -41.68 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 0.751 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.585 HG21 ' HG2' ' A' ' 60' ' ' ARG . 2.2 p -42.32 -50.17 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -49.09 -34.53 16.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.645 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -87.01 -25.11 24.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 111.0 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.781 HG12 HG21 ' A' ' 81' ' ' ILE . 3.8 mt -66.09 -25.97 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.618 HG22 ' HA2' ' A' ' 34' ' ' GLY . 55.3 mt -61.83 -60.36 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.42 165.49 21.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.412 1.07 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -41.2 -53.73 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.91 41.44 1.79 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.448 1.092 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.618 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 58.27 23.42 53.12 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.15 -34.24 20.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.272 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.411 HE21 HD11 ' A' ' 81' ' ' ILE . 12.3 tp60 -48.67 -46.16 39.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.597 HD12 HD12 ' A' ' 40' ' ' ILE . 10.0 tp -69.46 -48.15 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.5 t -43.59 -50.24 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.003 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -35.53 61.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.597 HD12 HD12 ' A' ' 37' ' ' ILE . 38.8 mt -72.78 -36.41 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.754 ' CG ' HD12 ' A' ' 48' ' ' ILE . 26.9 mt-30 -70.68 -37.14 73.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -80.76 -29.59 36.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -70.08 -48.65 56.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.985 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -92.55 -6.26 50.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.016 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.2 34.75 59.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.51 154.03 37.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -82.9 144.24 30.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.754 HD12 ' CG ' ' A' ' 41' ' ' GLN . 46.4 mt -137.18 102.89 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -103.43 100.13 9.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.75 HG23 ' SG ' ' A' ' 62' ' ' CYS . 3.4 mt -99.35 135.28 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.812 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . -65.78 154.71 88.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -52.04 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.06 111.24 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 60' ' ' ARG . 69.9 p -50.46 -28.46 8.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.8 -75.78 0.82 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.26 33.6 0.11 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -105.12 154.57 38.7 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -30.0 7.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -120.53 137.82 54.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.812 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.0 tpm_? -86.05 135.08 33.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 32.2 t -89.55 127.76 35.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.75 ' SG ' HG23 ' A' ' 50' ' ' ILE . 60.7 m -123.78 106.77 10.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.5 mtp -75.13 114.41 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.554 HD23 HG12 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -98.4 146.1 26.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.3 m -144.46 125.48 14.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.739 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 149.72 -162.09 29.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 71' ' ' VAL . 17.5 p -57.8 161.99 5.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.89 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -25.29 64.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.4 m -80.89 -35.1 32.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 67' ' ' THR . 51.2 t -60.88 -39.28 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -49.74 18.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.9 m -50.38 -52.39 37.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.042 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.985 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.27 -49.52 76.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.567 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 1.7 mtpm? -48.04 -51.17 25.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 mmm-85 -51.57 -37.53 50.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.589 ' CB ' HG23 ' A' ' 40' ' ' ILE . 21.2 mt -70.72 -47.71 58.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.587 HD23 HD13 ' A' ' 40' ' ' ILE . 94.7 mt -58.25 -65.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -45.5 -48.76 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.59 -60.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.781 HG21 HG12 ' A' ' 29' ' ' ILE . 27.2 mt -46.57 -47.66 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.402 HG11 ' HG3' ' A' ' 22' ' ' PRO . 64.4 t -63.45 -58.76 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.76 -43.14 47.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -49.36 77.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -111.71 67.84 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.02 83.24 5.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.14 143.95 51.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.977 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.66 92.7 0.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -46.63 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.6 p -50.81 161.66 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.7 m 61.49 167.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.8 ptm . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.525 0.202 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.3 m -111.58 135.57 51.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -128.55 146.77 50.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -108.93 109.28 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.55 ' HB2' HD11 ' A' ' 64' ' ' LEU . 21.6 t80 -116.68 131.34 56.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -101.86 139.28 37.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 4.2 m -132.58 159.51 72.15 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.84 5.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -52.16 -24.61 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.08 -0.39 60.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.3 mmm -127.57 -43.04 1.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 0.742 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.5 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.3 p -44.16 -49.76 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.482 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -49.64 -29.82 12.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.571 1.169 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.608 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -94.47 -20.55 19.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.788 . . . . 0.0 110.985 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.766 HG12 HG21 ' A' ' 81' ' ' ILE . 9.9 mt -65.86 -42.71 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.5 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.2 mp -54.02 -58.11 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -63.2 -37.56 87.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.451 HD13 ' HG3' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -80.63 -37.19 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -42.91 69.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -32.24 71.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.751 HD11 HD11 ' A' ' 81' ' ' ILE . 23.1 mt -76.41 -37.85 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HG3' HD13 ' A' ' 37' ' ' ILE . 33.1 mt-30 -70.93 -32.27 69.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.259 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -85.84 -27.04 25.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.82 -48.85 51.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.252 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.63 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 9.3 p -93.45 -8.75 40.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.3 27.02 62.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 158.42 18.64 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.96 144.3 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.683 HG12 HD23 ' A' ' 64' ' ' LEU . 44.0 mt -136.66 105.5 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.74 100.14 11.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.0 mt -95.14 137.2 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.9 mp0 -118.05 137.84 52.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.402 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -95.76 119.04 33.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.8 t -67.52 143.5 56.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.9 m -132.27 113.96 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 108.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.16 114.89 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.683 HD23 HG12 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -99.66 145.82 27.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.8 m -144.52 129.54 18.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.36 -166.62 26.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.633 ' O ' HG23 ' A' ' 71' ' ' VAL . 18.0 p -58.15 161.82 6.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.427 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.17 4.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -71.71 -24.24 61.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.4 m -85.21 -36.28 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.02 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 67' ' ' THR . 37.3 t -60.93 -45.7 97.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.17 -51.88 53.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.82 -47.64 42.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.63 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -62.35 -48.65 78.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -48.73 -50.68 32.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -50.94 -40.87 58.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.663 ' CB ' HG23 ' A' ' 40' ' ' ILE . 5.9 mt -65.58 -49.38 69.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.3 mt -55.83 -66.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.41 -41.68 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -58.75 5.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.766 HG21 HG12 ' A' ' 29' ' ' ILE . 67.0 mt -45.81 -51.49 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.2 ptm . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.523 0.201 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.8 m -125.81 123.45 38.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' OE1' ' NZ ' ' A' ' 75' ' ' LYS . 2.1 tt0 -117.87 172.17 7.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -125.38 98.95 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.507 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 38.6 t80 -103.42 122.81 45.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -94.35 143.53 26.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.493 HG21 HG23 ' A' ' 26' ' ' VAL . 17.1 m -138.1 158.65 70.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.98 5.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -29.27 15.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.48 -6.9 51.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' PHE . 96.8 mmm -124.9 -40.19 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.554 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -44.08 -49.92 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.497 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -50.01 -30.19 15.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -94.24 -22.38 18.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.992 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.64 HG12 HG21 ' A' ' 81' ' ' ILE . 4.6 mt -64.2 -41.82 93.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.554 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.2 mp -55.95 -60.23 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -58.7 -34.24 71.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.541 HD11 HD13 ' A' ' 48' ' ' ILE . 8.0 tp -84.56 -38.82 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 t -45.66 -50.8 13.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -37.32 75.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.92 HD11 HD11 ' A' ' 81' ' ' ILE . 37.6 mt -71.67 -38.12 65.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.595 ' HG3' HD12 ' A' ' 48' ' ' ILE . 35.2 mt-30 -69.96 -33.9 72.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -83.58 -31.0 26.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.9 -48.24 63.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 1.042 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -93.51 -2.12 54.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.85 36.06 25.67 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.29 150.45 43.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -86.03 144.32 27.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.595 HD12 ' HG3' ' A' ' 41' ' ' GLN . 20.3 mt -133.65 104.96 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.33 100.12 10.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.599 HG23 ' SG ' ' A' ' 62' ' ' CYS . 7.7 mt -95.03 142.89 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.415 ' O ' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 10.4 mm-40 -131.27 136.49 48.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' NH1' ' O ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -93.18 115.48 28.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.8 t -62.11 132.92 54.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.078 . . . . 0.0 109.954 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.599 ' SG ' HG23 ' A' ' 50' ' ' ILE . 62.9 m -128.04 113.38 15.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 108.311 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.7 mmm -84.05 118.7 24.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 48' ' ' ILE . 1.2 mp -98.93 150.83 21.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.6 m -144.51 131.98 20.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.387 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.12 -169.18 24.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 71' ' ' VAL . 9.4 p -53.62 162.36 1.32 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 110.395 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.429 ' O ' ' NE2' ' A' ' 72' ' ' GLN . 18.3 Cg_endo -74.98 -41.24 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.25 -17.87 64.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 m -87.95 -41.36 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 67' ' ' THR . 26.1 t -56.74 -46.79 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 68' ' ' PRO . 1.4 mp0 -65.95 -48.67 70.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.9 m -53.97 -48.26 70.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.042 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -61.04 -44.5 97.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 19.6 mtmt -50.42 -53.0 32.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -46.94 -48.96 21.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.645 ' CB ' HG23 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -58.68 -50.51 73.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.485 HD21 ' CD1' ' A' ' 37' ' ' ILE . 30.8 mt -54.42 -69.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 78' ' ' LEU . 12.1 t0 -40.56 -51.17 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -61.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.92 HD11 HD11 ' A' ' 40' ' ' ILE . 97.1 mt -40.57 -63.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.0 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.8 ptm . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.487 0.184 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 m -120.25 135.21 55.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -123.94 168.51 12.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -125.09 100.09 6.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 31.8 t80 -108.2 133.05 53.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -104.91 145.3 30.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 1.5 m -139.99 161.23 57.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.41 4.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.456 ' HA ' HG12 ' A' ' 26' ' ' VAL . 12.7 t70 -52.49 -21.57 3.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.2 4.32 63.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 98.6 mmm -131.31 -45.14 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 0.721 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 27' ' ' GLY . 8.2 p -42.23 -51.79 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.511 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.25 -34.98 6.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.687 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -87.93 -25.06 23.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.981 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.85 HG12 HG21 ' A' ' 81' ' ' ILE . 10.8 mt -63.55 -27.5 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.469 HD12 ' HA2' ' A' ' 27' ' ' GLY . 7.5 mt -61.55 -61.34 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -62.82 -34.95 78.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -82.49 -36.56 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -55.27 -39.82 70.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -64.63 -34.27 77.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.57 HG23 ' CB ' ' A' ' 77' ' ' LEU . 34.4 mt -72.05 -39.62 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.62 ' CG ' HD12 ' A' ' 48' ' ' ILE . 28.5 mt-30 -71.0 -34.14 71.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -85.41 -23.88 27.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 3.2 mm-40 -72.02 -49.06 40.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.624 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 12.3 p -95.03 -9.56 33.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.77 26.6 67.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -109.94 157.03 19.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -86.99 142.57 27.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.62 HD12 ' CG ' ' A' ' 41' ' ' GLN . 37.9 mt -135.0 108.08 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -105.71 100.14 9.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.9 mt -95.91 140.66 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.7 OUTLIER -134.16 133.64 41.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.84 113.03 25.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.8 t -63.58 142.52 58.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 36.5 m -130.25 119.75 23.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.267 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -83.53 115.28 22.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.449 HD11 ' CB ' ' A' ' 19' ' ' TYR . 1.4 mp -100.95 144.16 30.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.5 m -144.13 125.06 14.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.19 -163.25 28.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.557 1.161 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 71' ' ' VAL . 5.6 p -57.6 162.58 4.64 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 110.436 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -41.19 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.11 -29.94 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.2 m -76.58 -33.93 58.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 67' ' ' THR . 22.0 t -64.46 -44.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -64.79 -54.71 26.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.8 m -47.78 -55.77 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.624 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -52.02 -51.53 56.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -46.23 -56.84 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -46.68 -47.86 20.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.57 ' CB ' HG23 ' A' ' 40' ' ' ILE . 25.7 mt -58.93 -43.54 91.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.518 HD23 HD13 ' A' ' 40' ' ' ILE . 93.9 mt -63.17 -61.36 2.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' GLN . 24.0 t0 -47.84 -50.92 24.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -38.87 -61.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.85 HG21 HG12 ' A' ' 29' ' ' ILE . 34.3 mt -42.32 -53.9 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.449 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 50.3 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.402 ' SD ' HG21 ' A' ' 71' ' ' VAL . 4.2 ppp? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.484 0.183 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.4 m -119.89 130.42 54.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -121.92 174.43 6.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -129.47 105.89 8.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CD1' ' HD3' ' A' ' 75' ' ' LYS . 21.6 t80 -113.28 119.96 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.82 130.66 39.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 60' ' ' ARG . 14.3 m -122.34 159.05 54.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 114.7 4.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.425 ' HA ' HG12 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -52.21 -21.62 3.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.11 62.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.423 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 95.5 mmm -134.6 -43.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.493 ' O ' HD12 ' A' ' 30' ' ' ILE . 3.4 p -43.49 -48.92 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.5 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.95 -30.87 5.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -94.17 -24.55 17.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 110.982 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.523 HG22 HD12 ' A' ' 37' ' ' ILE . 48.4 mt -63.08 -37.96 80.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.5 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.4 mp -58.15 -62.47 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -60.72 -40.32 91.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.523 HD12 HG22 ' A' ' 29' ' ' ILE . 1.0 OUTLIER -77.56 -46.87 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -42.02 -43.52 3.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -42.04 99.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.931 HD11 HD11 ' A' ' 81' ' ' ILE . 53.0 mt -64.74 -40.38 88.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.633 ' CG ' HD12 ' A' ' 48' ' ' ILE . 56.8 mt-30 -69.17 -35.75 76.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -78.7 -34.05 46.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.95 -46.17 72.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.876 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -91.53 -16.23 27.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' GLN . . . 62.73 36.72 93.7 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.83 158.11 32.57 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -89.14 141.96 28.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.633 HD12 ' CG ' ' A' ' 41' ' ' GLN . 46.6 mt -133.54 101.35 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -97.58 99.99 11.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.809 HG23 ' SG ' ' A' ' 62' ' ' CYS . 3.4 mt -98.61 127.45 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -136.23 138.67 42.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.478 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -104.13 124.36 48.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.1 t -72.53 138.84 47.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.809 ' SG ' HG23 ' A' ' 50' ' ' ILE . 96.7 m -130.75 106.96 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 108.248 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.39 119.31 19.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.8 mp -102.05 149.99 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.4 m -144.38 129.32 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.415 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.66 -152.12 24.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 71' ' ' VAL . 3.0 p -77.57 164.07 60.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 67' ' ' THR . 18.2 Cg_endo -75.03 -22.65 14.54 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.76 -30.24 45.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.4 m -82.94 -38.63 22.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.772 HG12 ' HE2' ' A' ' 75' ' ' LYS . 41.8 t -58.33 -44.72 88.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -66.81 -54.27 24.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.8 m -48.81 -55.68 10.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.876 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -52.9 -52.54 57.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.772 ' HE2' HG12 ' A' ' 71' ' ' VAL . 20.1 mtmt -44.76 -54.87 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -47.92 -49.96 28.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.614 ' CB ' HG23 ' A' ' 40' ' ' ILE . 12.5 mt -56.48 -46.86 80.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.53 -68.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -40.57 -47.58 2.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -66.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.931 HD11 HD11 ' A' ' 40' ' ' ILE . 51.5 mt -41.72 -56.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.423 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 84.7 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.5 ' SD ' HG21 ' A' ' 71' ' ' VAL . 4.2 ppp? . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.477 0.18 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.0 m -114.71 133.99 55.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 9.2 tp10 -131.25 146.17 52.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 13.5 tt0 -110.4 98.4 7.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.458 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 41.4 t80 -101.13 124.47 46.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -92.36 139.6 30.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 60' ' ' ARG . 29.5 m -135.29 158.01 75.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 114.01 3.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.38 -26.49 7.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.91 -7.68 56.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.1 mmm -123.39 -39.88 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.798 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -44.76 -47.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.158 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -50.88 -29.22 19.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.63 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -94.3 -21.18 19.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 0.0 110.992 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.738 HG12 HG21 ' A' ' 81' ' ' ILE . 19.0 mt -65.58 -36.47 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.476 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.6 mt -58.42 -56.09 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -77.55 -33.68 54.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.89 HD13 ' O ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -81.37 -33.88 12.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -55.0 -51.29 66.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -35.9 62.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.582 HG23 ' CB ' ' A' ' 77' ' ' LEU . 48.5 mt -68.75 -40.87 82.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.593 ' CG ' HD12 ' A' ' 48' ' ' ILE . 35.9 mt-30 -69.84 -36.75 75.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -78.94 -29.55 44.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.75 -53.02 37.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.885 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 6.8 p -91.39 -8.02 49.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.72 27.61 61.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.19 155.14 22.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -87.15 144.22 26.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.593 HD12 ' CG ' ' A' ' 41' ' ' GLN . 40.7 mt -136.49 105.83 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -100.74 100.13 10.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.713 HG23 ' SG ' ' A' ' 62' ' ' CYS . 4.9 mt -96.93 138.26 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.446 ' O ' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.976 -0.432 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -131.88 133.32 44.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.483 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -95.01 115.77 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 t -63.19 141.65 58.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.713 ' SG ' HG23 ' A' ' 50' ' ' ILE . 89.6 m -132.31 109.45 9.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 108.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 mtp -77.61 116.06 17.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.464 HD23 HG12 ' A' ' 48' ' ' ILE . 1.4 mp -102.51 146.89 27.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.0 m -144.44 126.92 15.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.94 -170.97 27.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.932 ' O ' HG23 ' A' ' 71' ' ' VAL . 26.3 p -49.86 162.02 0.5 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 110.411 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -36.06 2.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -23.13 61.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.5 m -80.11 -42.53 23.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 67' ' ' THR . 48.9 t -55.75 -45.48 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.47 -52.71 50.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.5 m -49.38 -55.37 13.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.885 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.27 -44.68 88.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.458 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 11.7 mtmt -48.65 -51.25 29.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -52.34 -54.37 32.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.582 ' CB ' HG23 ' A' ' 40' ' ' ILE . 13.5 mt -49.92 -47.41 52.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.448 HD23 HD13 ' A' ' 40' ' ' ILE . 95.9 mt -57.36 -70.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -40.83 -51.63 3.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.77 -64.35 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.738 HG21 HG12 ' A' ' 29' ' ' ILE . 35.1 mt -41.95 -58.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.9 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.4 ptm . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.46 0.171 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.2 m -124.53 138.2 54.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 6.2 tp10 -130.91 145.69 52.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 20.1 tt0 -103.98 106.83 17.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.551 ' CD1' ' HE2' ' A' ' 75' ' ' LYS . 36.2 t80 -114.94 125.96 54.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -96.22 150.31 20.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -144.15 161.2 46.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.12 5.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.81 -21.04 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.18 -2.61 83.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.502 ' HE2' ' HA ' ' A' ' 82' ' ' VAL . 96.9 mmm -125.31 -45.21 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.608 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.9 p -43.7 -49.8 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.496 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.37 -31.7 4.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -94.25 -22.93 18.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.992 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.876 HG12 HG21 ' A' ' 81' ' ' ILE . 8.7 mt -64.93 -35.94 76.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.5 mp -60.77 -58.83 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -59.98 -38.84 83.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.505 HD12 HD12 ' A' ' 40' ' ' ILE . 5.8 tp -78.56 -45.41 25.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.2 t -44.44 -44.0 8.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -36.31 80.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.758 HG23 ' CB ' ' A' ' 77' ' ' LEU . 32.5 mt -73.16 -36.36 49.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.608 ' CG ' HD12 ' A' ' 48' ' ' ILE . 49.2 mt-30 -70.46 -35.38 73.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -83.28 -28.87 28.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.43 -45.28 60.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.732 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -99.03 2.51 46.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 45.0 32.83 3.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.505 ' CB ' ' HB2' ' A' ' 70' ' ' SER . 2.8 t -114.03 156.41 24.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -90.94 138.81 31.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.608 HD12 ' CG ' ' A' ' 41' ' ' GLN . 13.1 mt -133.21 112.62 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -113.34 99.98 8.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.57 HG23 ' SG ' ' A' ' 62' ' ' CYS . 2.9 mt -95.74 135.62 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -109.84 136.18 49.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.457 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 0.4 OUTLIER -92.32 117.65 30.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.1 t -66.14 140.31 58.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.57 ' SG ' HG23 ' A' ' 50' ' ' ILE . 57.6 m -127.91 106.14 8.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 108.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 96.8 mmm -78.75 115.79 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mp -96.9 150.31 20.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.8 m -137.2 121.24 17.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.384 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.72 -147.56 17.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.83 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.0 OUTLIER -88.2 175.54 4.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 110.409 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.56 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 70' ' ' SER . 4.3 pt-20 -62.46 -35.74 80.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.505 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 19.5 p -75.52 -45.81 35.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 67' ' ' THR . 73.1 t -59.13 -45.53 92.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -60.75 -57.9 10.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.405 ' CB ' ' HB2' ' A' ' 44' ' ' SER . 72.6 m -48.24 -58.16 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.732 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -48.48 -53.38 18.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 19' ' ' TYR . 1.2 mtpm? -45.14 -57.69 3.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.4 ' O ' ' CD ' ' A' ' 80' ' ' GLN . 18.1 mmt180 -45.68 -46.36 14.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.758 ' CB ' HG23 ' A' ' 40' ' ' ILE . 73.5 mt -62.22 -51.6 67.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.617 HD23 HD13 ' A' ' 40' ' ' ILE . 85.1 mt -56.64 -46.89 80.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 80' ' ' GLN . 6.0 t0 -61.25 -53.0 62.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -38.34 -45.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.876 HG21 HG12 ' A' ' 29' ' ' ILE . 57.5 mt -57.16 -53.15 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.502 ' HA ' ' HE2' ' A' ' 25' ' ' MET . 47.0 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.288 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ptm . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.498 0.19 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.5 m -117.99 145.51 44.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -134.9 164.55 27.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -118.37 112.75 20.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.512 ' CD1' ' HE2' ' A' ' 75' ' ' LYS . 25.4 t80 -123.84 122.36 37.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -95.07 140.79 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 60' ' ' ARG . 3.1 m -130.37 160.25 66.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.409 ' HG3' ' CG1' ' A' ' 82' ' ' VAL . 18.3 Cg_endo -74.98 122.26 7.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.571 ' HA ' HG12 ' A' ' 26' ' ' VAL . 1.5 t0 -57.22 -18.15 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.03 7.95 68.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.2 mmm -135.65 -44.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 23' ' ' ASP . 14.6 p -42.28 -53.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.54 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.37 -34.93 6.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.697 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -87.59 -26.32 23.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 111.009 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.802 HG22 ' CD1' ' A' ' 37' ' ' ILE . 3.3 mt -63.27 -28.34 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 21.0 mt -60.84 -62.22 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -56.18 -44.61 79.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.802 ' CD1' HG22 ' A' ' 29' ' ' ILE . 2.8 tp -69.47 -49.2 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.421 ' N ' HG23 ' A' ' 37' ' ' ILE . 10.5 t -45.24 -46.57 12.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.74 -33.27 60.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.665 HG23 ' CB ' ' A' ' 77' ' ' LEU . 22.7 mt -76.73 -35.09 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.634 ' CG ' HD12 ' A' ' 48' ' ' ILE . 65.8 mt-30 -71.27 -35.1 71.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -82.45 -28.49 31.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.46 -46.21 55.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 1.036 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -95.6 -3.52 46.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 50.01 36.88 28.46 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.37 157.38 31.96 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -87.15 141.88 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.634 HD12 ' CG ' ' A' ' 41' ' ' GLN . 31.5 mt -134.42 102.56 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -101.68 101.64 12.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.1 mt -98.8 124.81 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.912 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.031 -0.411 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -124.86 138.61 54.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.912 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.0 tpm_? -91.94 128.14 37.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.416 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 12.6 t -78.44 141.02 38.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.9 m -132.31 108.72 9.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.258 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -77.67 114.55 16.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 1.7 mp -98.34 147.88 24.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 91.6 m -144.16 134.58 24.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.339 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.48 -163.66 25.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.833 ' O ' HG23 ' A' ' 71' ' ' VAL . 60.6 p -57.4 161.38 5.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -38.6 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.59 -16.0 63.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.2 m -90.84 -39.43 12.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.039 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 67' ' ' THR . 85.5 t -57.68 -42.08 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -54.61 10.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.4 m -46.83 -50.92 17.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.036 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -59.43 -49.41 77.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.512 ' HE2' ' CD1' ' A' ' 19' ' ' TYR . 4.1 mtpm? -48.38 -52.12 23.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.03 -45.05 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.665 ' CB ' HG23 ' A' ' 40' ' ' ILE . 14.6 mt -62.62 -45.03 94.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.488 HD23 HD13 ' A' ' 40' ' ' ILE . 85.6 mt -61.35 -66.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -44.74 -44.44 9.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -45.8 -65.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.697 HG23 ' CE2' ' A' ' 28' ' ' PHE . 46.2 mt -42.07 -50.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.409 ' CG1' ' HG3' ' A' ' 22' ' ' PRO . 73.0 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ptm . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.464 0.173 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.5 m -116.08 135.64 53.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.452 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.0 tp10 -125.83 147.04 49.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 15.3 tt0 -108.97 100.88 10.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.493 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 28.0 t80 -109.02 125.06 51.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -98.24 134.39 41.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' ARG . 11.9 m -124.67 159.26 59.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.471 ' HA ' HG12 ' A' ' 26' ' ' VAL . 11.4 t70 -53.59 -21.06 5.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.76 -2.17 85.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.459 ' CB ' HG22 ' A' ' 82' ' ' VAL . 97.6 mmm -127.08 -39.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.706 ' O ' HD12 ' A' ' 30' ' ' ILE . 9.8 p -42.5 -52.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.531 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.21 -33.66 5.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.603 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -90.97 -22.75 20.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.6 HG12 HG21 ' A' ' 81' ' ' ILE . 5.1 mt -63.83 -47.34 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.7 mp -47.96 -61.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.57 -44.29 85.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.572 HD13 HG22 ' A' ' 29' ' ' ILE . 3.8 tp -74.58 -40.77 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.82 -50.84 24.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.95 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -33.05 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.557 HG23 ' CB ' ' A' ' 77' ' ' LEU . 37.1 mt -75.52 -38.08 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.467 ' CG ' HD12 ' A' ' 48' ' ' ILE . 42.2 mt-30 -69.69 -34.3 73.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -84.15 -35.54 23.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.22 -55.25 37.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.768 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 96.2 p -87.37 -19.95 27.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.19 22.3 79.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.563 1.164 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.64 158.43 16.71 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.85 143.67 26.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.486 HG12 HD23 ' A' ' 64' ' ' LEU . 25.9 mt -134.75 102.96 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.71 100.71 11.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.675 HG23 ' SG ' ' A' ' 62' ' ' CYS . 5.4 mt -96.28 123.22 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.932 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 2.2 mp0 -110.06 140.26 44.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.932 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 4.0 tpm_? -87.8 124.83 34.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.6 t -73.17 128.76 36.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.675 ' SG ' HG23 ' A' ' 50' ' ' ILE . 94.8 m -122.79 109.3 14.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.37 114.64 16.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD23 HG12 ' A' ' 48' ' ' ILE . 1.2 mp -98.39 146.12 26.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 m -144.41 134.48 24.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.05 -166.14 25.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 71' ' ' VAL . 71.3 p -55.55 161.3 3.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.527 0.781 . . . . 0.0 110.405 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -31.98 5.78 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.94 -22.16 56.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.6 m -84.55 -34.38 23.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 67' ' ' THR . 13.0 t -61.99 -42.46 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -69.18 -56.51 7.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.9 m -47.23 -54.06 11.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.768 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -55.13 -51.52 66.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.493 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 2.7 mtpm? -45.98 -53.36 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -49.99 -49.51 50.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.557 ' CB ' HG23 ' A' ' 40' ' ' ILE . 42.2 mt -57.95 -40.23 80.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.44 HD23 HD13 ' A' ' 40' ' ' ILE . 83.8 mt -64.93 -68.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -41.96 -49.86 4.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.36 -60.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.603 HG23 ' CE2' ' A' ' 28' ' ' PHE . 53.8 mt -42.71 -61.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.459 HG22 ' CB ' ' A' ' 25' ' ' MET . 54.9 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ptm . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.507 0.194 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.5 m -116.87 143.23 45.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.4 tp10 -136.14 145.28 45.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 6.7 tt0 -109.36 108.18 18.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.587 ' HB2' HD11 ' A' ' 64' ' ' LEU . 21.4 t80 -111.33 121.56 45.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.45 132.13 38.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 2.1 m -128.14 160.42 61.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.431 ' HG2' ' CG ' ' A' ' 25' ' ' MET . 18.4 Cg_endo -74.92 119.71 5.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -53.19 -24.44 10.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.13 -3.19 68.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.0 mmm -124.57 -40.27 2.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.599 ' O ' HD12 ' A' ' 30' ' ' ILE . 4.4 p -43.99 -50.79 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -48.71 -30.35 8.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.464 1.102 . . . . 0.0 110.976 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.725 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.1 t80 -94.29 -20.78 19.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 0.769 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.783 HG12 HG21 ' A' ' 81' ' ' ILE . 7.1 mt -65.58 -40.61 88.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -57.36 -62.42 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.74 -33.45 66.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.54 HD13 HG22 ' A' ' 29' ' ' ILE . 5.0 tp -82.52 -33.35 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.1 t -51.96 -57.48 9.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.69 -33.12 21.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.795 HD11 HD11 ' A' ' 81' ' ' ILE . 36.3 mt -74.77 -38.64 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.647 ' CG ' HD12 ' A' ' 48' ' ' ILE . 37.8 mt-30 -69.37 -34.29 74.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -82.19 -36.65 27.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.16 -55.6 32.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.727 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 87.8 p -87.28 -17.93 31.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.59 27.01 74.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -109.36 158.38 17.97 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -90.79 141.8 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.647 HD12 ' CG ' ' A' ' 41' ' ' GLN . 18.5 mt -132.86 106.15 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.19 102.74 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.647 HG23 ' SG ' ' A' ' 62' ' ' CYS . 3.9 mt -99.2 137.69 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.715 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.7 OUTLIER -94.94 134.74 37.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.715 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.0 tpm_? -88.61 123.8 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.433 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 11.8 t -72.72 138.08 46.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.647 ' SG ' HG23 ' A' ' 50' ' ' ILE . 59.8 m -129.31 115.32 17.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 108.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.6 mtp -83.22 116.43 22.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.587 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -97.86 148.78 23.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.8 m -144.26 128.47 17.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.375 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.27 -166.36 26.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.968 ' O ' HG23 ' A' ' 71' ' ' VAL . 8.4 p -57.37 162.62 4.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 110.415 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -35.53 3.05 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -70.48 -24.06 62.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 m -85.13 -33.69 22.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.042 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 67' ' ' THR . 80.3 t -61.91 -48.81 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -63.97 -52.54 59.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.73 -56.38 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.727 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -54.86 -50.66 68.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.559 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 4.5 mtpt -47.01 -53.49 12.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -49.38 -47.25 47.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.528 ' CB ' HG23 ' A' ' 40' ' ' ILE . 18.7 mt -62.57 -47.35 84.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.511 HD21 ' CD1' ' A' ' 37' ' ' ILE . 94.7 mt -56.87 -67.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -40.91 -46.78 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.19 -58.3 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.795 HD11 HD11 ' A' ' 40' ' ' ILE . 75.8 mt -41.19 -62.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.426 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 61.5 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ptm . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.479 0.181 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.1 m -110.28 150.39 28.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.6 tp10 -141.44 146.05 36.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 5.6 tt0 -110.36 107.71 17.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.566 ' HB2' HD11 ' A' ' 64' ' ' LEU . 20.3 t80 -115.37 125.47 53.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.35 134.25 42.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 60' ' ' ARG . 4.9 m -125.56 159.42 60.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.94 5.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.449 ' HA ' HG12 ' A' ' 26' ' ' VAL . 1.5 t70 -53.2 -22.91 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.06 -2.69 79.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.5 mmm -125.9 -40.38 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.695 ' O ' HD12 ' A' ' 30' ' ' ILE . 6.3 p -43.38 -51.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.503 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -47.93 -31.09 7.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.602 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.1 t80 -93.44 -20.76 20.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.745 HG12 HG21 ' A' ' 81' ' ' ILE . 7.9 mt -65.72 -41.94 91.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.695 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.9 mp -53.5 -57.18 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -75.28 -34.15 61.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.575 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.4 tp -76.62 -46.17 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -44.2 -56.97 3.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -48.21 -31.95 6.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 110.245 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.74 HD11 HD11 ' A' ' 81' ' ' ILE . 33.3 mt -77.36 -38.63 27.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.655 ' CG ' HD12 ' A' ' 48' ' ' ILE . 64.7 mt-30 -68.58 -32.88 73.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -84.69 -38.78 19.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.01 -57.07 13.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.75 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 95.0 p -86.18 -19.9 29.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.954 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.94 25.1 75.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.74 157.63 17.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 9.3 tttp -88.01 142.53 27.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.655 HD12 ' CG ' ' A' ' 41' ' ' GLN . 21.8 mt -134.26 104.14 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -103.98 100.15 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.72 HG23 ' SG ' ' A' ' 62' ' ' CYS . 5.7 mt -94.11 126.7 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.941 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -129.73 135.41 48.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.941 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 4.2 tpm_? -87.9 124.78 34.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -74.94 135.82 41.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.72 ' SG ' HG23 ' A' ' 50' ' ' ILE . 75.0 m -130.67 104.4 7.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.2 mmm -76.88 118.36 19.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.6 mp -99.77 150.53 22.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.6 m -144.51 126.92 15.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.6 -165.26 28.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.707 ' O ' HG23 ' A' ' 71' ' ' VAL . 38.7 p -57.14 161.82 4.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.24 3.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.802 . . . . 0.0 111.047 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.75 -19.81 61.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 110.241 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.9 m -87.6 -35.23 18.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.036 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 67' ' ' THR . 48.4 t -60.62 -46.76 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -66.49 -52.64 43.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.13 -48.57 23.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.75 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -62.93 -48.24 79.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.538 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 5.1 mtpm? -51.18 -49.44 60.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -53.23 -34.92 59.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.525 ' CB ' HG23 ' A' ' 40' ' ' ILE . 13.6 mt -75.43 -40.64 57.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 40' ' ' ILE . 87.1 mt -65.75 -62.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.23 -46.22 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -60.25 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.745 HG21 HG12 ' A' ' 29' ' ' ILE . 73.2 mt -41.16 -57.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.414 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 74.8 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 ptm . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.522 0.201 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.3 m -120.01 124.49 46.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -118.83 160.49 21.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -121.07 103.86 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.57 ' HB2' HD11 ' A' ' 64' ' ' LEU . 35.8 t80 -111.78 129.52 56.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -100.27 145.71 27.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' ARG . 3.1 m -136.0 160.31 67.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.407 ' HG2' ' CG ' ' A' ' 25' ' ' MET . 18.3 Cg_endo -74.98 118.63 5.34 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.469 ' HA ' HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -52.45 -22.36 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.83 6.37 62.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.7 mmm -133.61 -43.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 27' ' ' GLY . 9.5 p -43.27 -52.3 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.525 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.05 -30.89 4.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.635 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -94.29 -21.31 19.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.993 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.839 HG12 HG21 ' A' ' 81' ' ' ILE . 10.5 mt -65.94 -33.31 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.491 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.3 mp -64.42 -62.0 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.444 1.09 . . . . 0.0 110.963 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -72.16 -39.73 68.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 48' ' ' ILE . 6.1 tp -77.67 -39.38 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 t -47.21 -53.89 12.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -35.31 59.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.52 HG23 ' HB2' ' A' ' 77' ' ' LEU . 32.2 mt -73.59 -38.05 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.697 ' HG3' HD12 ' A' ' 48' ' ' ILE . 34.3 mt-30 -69.9 -33.7 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -84.62 -37.1 21.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.65 -57.04 13.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.641 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 96.8 p -87.26 -19.27 28.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.73 21.78 79.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -103.19 158.41 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 12.2 ttmm -91.41 140.5 29.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.697 HD12 ' HG3' ' A' ' 41' ' ' GLN . 14.4 mt -131.22 108.8 15.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -108.42 102.58 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.443 HG23 ' SG ' ' A' ' 62' ' ' CYS . 8.3 mt -98.73 136.45 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.807 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 110.986 -0.428 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.3 mp0 -130.88 138.5 49.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.807 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.1 tpm_? -88.28 126.41 35.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 t -78.71 134.05 37.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.965 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.443 ' SG ' HG23 ' A' ' 50' ' ' ILE . 55.6 m -129.35 114.35 16.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 93.9 mmm -85.08 118.63 24.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.2 mp -94.91 148.94 21.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 m -144.45 119.08 9.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.453 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.1 -162.5 30.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 71' ' ' VAL . 3.9 p -60.28 163.15 8.94 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.538 0.787 . . . . 0.0 110.394 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -36.08 2.79 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.53 1.805 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -74.0 -16.1 61.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.0 m -89.26 -34.08 16.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 67' ' ' THR . 55.2 t -63.43 -44.53 98.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -65.8 -55.99 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.29 -50.95 11.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.641 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.36 -55.94 28.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 4.7 mtpp -43.55 -47.84 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -54.77 -40.5 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.52 ' HB2' HG23 ' A' ' 40' ' ' ILE . 31.6 mt -70.08 -53.15 18.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.506 HD23 HD13 ' A' ' 40' ' ' ILE . 90.9 mt -52.48 -63.9 0.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' GLN . 59.1 t0 -43.82 -52.18 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER -38.79 -58.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.839 HG21 HG12 ' A' ' 29' ' ' ILE . 43.0 mt -43.42 -59.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.436 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 99.0 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.9 ptm . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.513 0.197 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.3 m -123.24 139.83 53.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.8 tp10 -130.04 146.48 51.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 16.1 tt0 -105.64 101.94 11.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.619 ' HB2' HD11 ' A' ' 64' ' ' LEU . 12.1 t80 -108.93 123.85 49.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -98.19 135.98 39.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 1.7 m -128.51 161.16 58.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 117.45 4.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.55 -30.81 21.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.21 -9.75 55.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.4 mmm -121.74 -37.69 2.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.594 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.8 p -44.16 -49.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -50.09 -29.92 15.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.593 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.5 t80 -94.27 -21.45 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.724 HG12 HG21 ' A' ' 81' ' ' ILE . 6.6 mt -64.57 -43.1 96.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -53.69 -66.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.161 . . . . 0.0 111.03 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -69.14 -37.43 78.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.481 HD13 HG22 ' A' ' 29' ' ' ILE . 5.2 tp -80.75 -37.12 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.11 -52.89 31.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -53.84 -33.94 57.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.801 HD11 HD11 ' A' ' 81' ' ' ILE . 31.9 mt -74.35 -38.81 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.578 ' CG ' HD12 ' A' ' 48' ' ' ILE . 34.6 mt-30 -70.29 -32.49 70.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -87.1 -31.4 20.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 3.2 mm-40 -62.49 -54.0 46.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.735 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 77.4 p -89.75 -16.38 30.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.76 20.1 77.21 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.34 158.1 16.57 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.62 144.75 25.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.578 HD12 ' CG ' ' A' ' 41' ' ' GLN . 18.7 mt -135.26 106.83 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -104.08 107.6 18.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.479 HG23 ' SG ' ' A' ' 62' ' ' CYS . 8.2 mt -105.2 136.34 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.808 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 2.4 mp0 -121.56 140.25 52.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.808 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.1 tpm_? -87.53 129.9 34.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 t -78.54 127.6 32.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.479 ' SG ' HG23 ' A' ' 50' ' ' ILE . 56.6 m -125.12 115.47 20.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 108.294 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 93.6 mmm -88.56 116.04 26.51 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.8 mp -95.22 152.06 18.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 90.8 m -143.72 124.23 13.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.363 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 147.02 -166.07 28.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 71' ' ' VAL . 42.8 p -56.55 161.31 4.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 110.431 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -34.01 4.11 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.51 -23.7 60.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.5 m -80.86 -38.39 28.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 67' ' ' THR . 42.4 t -61.23 -47.65 92.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -61.2 2.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 m -44.87 -54.72 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.735 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -53.13 -53.95 42.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -44.06 -54.08 5.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -50.25 -43.86 53.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.25 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.509 ' CB ' HG23 ' A' ' 40' ' ' ILE . 51.6 mt -63.26 -38.61 91.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.525 HD23 HD13 ' A' ' 40' ' ' ILE . 96.0 mt -69.84 -66.31 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -41.63 -34.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -59.31 5.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.801 HD11 HD11 ' A' ' 40' ' ' ILE . 86.6 mt -40.32 -54.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.819 ' CE ' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.525 0.202 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -119.2 133.49 55.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 24.8 tp10 -125.48 145.93 49.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 15.7 tt0 -101.57 100.69 11.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.231 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.412 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 23.5 t80 -108.22 121.88 45.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.34 142.99 27.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' ARG . 8.8 m -134.66 159.2 73.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 118.34 5.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.472 ' HA ' HG12 ' A' ' 26' ' ' VAL . 7.6 t0 -52.63 -25.45 10.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.27 -3.44 65.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' PHE . 91.2 mmm -125.74 -39.97 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 27' ' ' GLY . 6.1 p -43.04 -50.93 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.494 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -49.89 -33.08 19.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.672 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -90.48 -22.59 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.707 HG12 HG21 ' A' ' 81' ' ' ILE . 3.8 mt -63.71 -42.07 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.2 mt -56.92 -72.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -73.45 -36.84 65.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.253 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.696 HD13 HG22 ' A' ' 29' ' ' ILE . 3.3 tp -80.61 -36.0 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.9 t -52.81 -53.73 44.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -52.07 -31.26 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.707 HG23 ' HB2' ' A' ' 77' ' ' LEU . 29.5 mt -76.87 -38.74 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.577 ' HG3' HD12 ' A' ' 48' ' ' ILE . 46.4 mt-30 -68.6 -35.06 76.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -82.98 -37.16 24.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' HB3' HD11 ' A' ' 77' ' ' LEU . 8.8 mm-40 -57.22 -55.23 37.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.801 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 97.3 p -87.89 -19.31 27.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.09 26.41 73.85 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.54 157.26 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.35 144.78 25.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.577 HD12 ' HG3' ' A' ' 41' ' ' GLN . 20.6 mt -135.36 105.88 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -104.22 108.43 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.098 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.657 HG23 ' SG ' ' A' ' 62' ' ' CYS . 4.0 mt -104.51 126.97 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.955 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 110.973 -0.433 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.3 mp0 -112.58 140.78 47.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.955 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.0 tpm_? -88.96 126.01 35.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.252 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -73.61 136.77 43.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.657 ' SG ' HG23 ' A' ' 50' ' ' ILE . 80.9 m -130.7 118.46 20.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.4 mtp -86.52 118.96 26.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.412 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.4 mp -101.67 147.47 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.7 m -144.5 128.45 17.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.93 -168.75 26.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.866 ' O ' HG23 ' A' ' 71' ' ' VAL . 9.6 p -51.34 162.18 0.69 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 110.379 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.78 2.93 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.788 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.54 -28.62 62.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.2 m -72.99 -42.26 63.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 67' ' ' THR . 65.6 t -56.57 -52.1 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -58.62 -48.6 80.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.56 -50.85 64.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.801 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -64.3 -44.26 92.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.601 ' HE2' HG12 ' A' ' 71' ' ' VAL . 29.0 mtmt -49.56 -43.42 45.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -64.7 -53.23 50.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.707 ' HB2' HG23 ' A' ' 40' ' ' ILE . 71.9 mt -53.01 -31.64 42.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.496 HD23 HD13 ' A' ' 40' ' ' ILE . 96.3 mt -76.78 -67.78 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -42.32 -40.45 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -60.98 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.707 HG21 HG12 ' A' ' 29' ' ' ILE . 32.5 mt -40.36 -58.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.0 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.529 ' SD ' HG21 ' A' ' 71' ' ' VAL . 3.6 ppp? . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.497 0.189 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.2 m -121.68 132.07 54.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.426 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -130.91 147.59 52.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -105.56 99.69 9.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.533 ' CD1' ' HE2' ' A' ' 75' ' ' LYS . 35.8 t80 -105.71 116.7 32.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -92.36 141.14 28.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -132.85 162.75 55.59 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.25 4.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -53.24 -28.56 27.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.05 -6.39 52.63 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.2 mmm -121.81 -40.32 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 0.72 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.7 p -43.79 -48.43 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.5 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.61 -30.95 4.88 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.469 1.105 . . . . 0.0 111.037 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.64 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -94.38 -24.11 17.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.797 HG12 HG21 ' A' ' 81' ' ' ILE . 38.6 mt -64.14 -33.51 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.5 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.8 mt -61.04 -60.37 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -73.66 -34.83 65.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.683 HD13 HG22 ' A' ' 29' ' ' ILE . 3.1 tp -77.01 -48.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 37' ' ' ILE . 22.9 t -44.07 -50.08 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.06 -33.77 53.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.727 HG23 ' CB ' ' A' ' 77' ' ' LEU . 22.0 mt -76.6 -37.74 29.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.696 ' CG ' HD12 ' A' ' 48' ' ' ILE . 70.2 mt-30 -69.76 -31.57 69.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -85.68 -34.11 21.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.2 -51.49 66.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.754 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 72.9 p -89.91 -16.87 29.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.02 25.56 73.31 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.05 157.74 17.59 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -89.53 142.95 27.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.696 HD12 ' CG ' ' A' ' 41' ' ' GLN . 29.5 mt -135.39 102.12 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -96.81 100.12 11.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.492 HG23 ' SG ' ' A' ' 62' ' ' CYS . 5.6 mt -100.6 120.78 50.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.933 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 111.019 -0.416 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 15.2 mp0 -109.37 142.49 40.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.933 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 4.0 tpm_? -90.45 124.66 35.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.7 t -72.92 128.25 34.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.492 ' SG ' HG23 ' A' ' 50' ' ' ILE . 56.8 m -125.73 109.51 12.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 108.277 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 89.5 mmm -81.13 123.07 28.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.456 HD11 ' CB ' ' A' ' 19' ' ' TYR . 1.7 mp -103.37 146.35 28.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.3 m -144.29 125.84 14.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.7 -151.38 23.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.135 . . . . 0.0 111.036 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.713 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.2 p -75.16 163.4 68.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.98 7.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.11 -18.97 60.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.404 ' HG ' ' HG1' ' A' ' 67' ' ' THR . 38.4 m -91.71 -36.21 13.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 67' ' ' THR . 54.1 t -61.04 -39.3 81.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.45 -58.54 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 m -47.53 -51.43 20.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.754 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -59.01 -52.85 64.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.533 ' HE2' ' CD1' ' A' ' 19' ' ' TYR . 6.0 mtpm? -45.29 -48.08 13.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -55.02 -52.78 62.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.727 ' CB ' HG23 ' A' ' 40' ' ' ILE . 17.4 mt -54.0 -31.55 51.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.7 mt -74.87 -66.18 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -44.84 -49.24 10.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -41.77 -56.28 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.797 HG21 HG12 ' A' ' 29' ' ' ILE . 19.4 mt -47.61 -49.02 10.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.586 1.179 . . . . 0.0 109.32 179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.7 ptm . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.501 0.191 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -116.73 143.56 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.425 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 9.4 tp10 -136.14 145.98 46.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 11.3 tt0 -107.77 98.11 7.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 36.6 t80 -101.47 129.47 47.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -103.29 148.78 25.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.88 160.89 58.95 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.483 ' HG2' HG22 ' A' ' 82' ' ' VAL . 18.3 Cg_endo -75.04 121.45 6.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.773 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.531 ' HA ' HG12 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -52.86 -24.92 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.9 0.51 65.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.463 ' CG ' ' HG2' ' A' ' 22' ' ' PRO . 88.7 mmm -127.58 -40.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.838 HG21 ' HG2' ' A' ' 60' ' ' ARG . 10.9 p -43.23 -52.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.526 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.42 -30.94 4.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.677 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.3 t80 -94.26 -21.57 18.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.897 HG12 HG21 ' A' ' 81' ' ' ILE . 5.2 mt -64.99 -42.49 94.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -55.08 -64.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 111.02 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -73.84 -34.9 64.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.752 HD12 HD12 ' A' ' 40' ' ' ILE . 10.7 tp -77.01 -47.76 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' HG23 ' A' ' 37' ' ' ILE . 2.2 t -42.47 -53.35 4.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.011 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.41 -35.74 40.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.752 HD12 HD12 ' A' ' 37' ' ' ILE . 32.7 mt -72.92 -37.88 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.619 ' HG3' HD12 ' A' ' 48' ' ' ILE . 49.8 mt-30 -69.93 -34.62 73.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -84.64 -25.28 28.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -76.06 -43.47 43.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 1.052 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.5 OUTLIER -98.99 -2.42 37.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.046 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.43 35.6 21.74 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -121.66 156.01 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -86.64 143.97 27.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.619 HD12 ' HG3' ' A' ' 41' ' ' GLN . 24.9 mt -136.13 103.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.59 100.18 10.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.508 HG23 ' SG ' ' A' ' 62' ' ' CYS . 9.9 mt -95.61 131.05 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.998 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.56 139.33 46.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.998 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 7.0 tpm_? -85.41 111.88 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.238 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.404 ' N ' ' HE ' ' A' ' 60' ' ' ARG . 31.3 t -65.21 132.42 49.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.508 ' SG ' HG23 ' A' ' 50' ' ' ILE . 62.3 m -129.8 118.42 21.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.8 mtp -90.64 122.1 33.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.414 ' CD2' HG12 ' A' ' 48' ' ' ILE . 1.6 mp -103.11 152.55 21.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.5 m -144.25 125.52 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.441 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.95 -162.0 28.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.914 ' O ' HG23 ' A' ' 71' ' ' VAL . 28.0 p -63.33 162.14 27.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.428 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.85 4.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.24 -25.41 63.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 m -84.3 -37.32 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.993 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 67' ' ' THR . 87.5 t -60.71 -48.44 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.51 -50.97 69.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.1 m -51.18 -45.95 61.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.052 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -66.94 -40.42 87.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.583 ' HE2' HG12 ' A' ' 71' ' ' VAL . 28.4 mtmt -54.86 -43.66 73.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.59 -37.99 76.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.71 ' CB ' HG23 ' A' ' 40' ' ' ILE . 3.2 mt -70.1 -41.15 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.549 HD23 HD13 ' A' ' 40' ' ' ILE . 68.3 mt -70.11 -40.34 74.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -67.9 -46.1 72.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -55.15 11.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.897 HG21 HG12 ' A' ' 29' ' ' ILE . 70.3 mt -41.21 -57.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.483 HG22 ' HG2' ' A' ' 22' ' ' PRO . 75.8 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 ptm . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.471 0.176 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.5 m -111.99 141.6 45.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 6.0 tp10 -134.52 145.52 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 11.9 tt0 -107.89 98.73 8.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.543 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 12.1 t80 -103.92 129.55 51.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -101.84 140.93 35.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 3.1 m -134.25 160.05 69.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 117.71 5.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -53.78 -23.87 13.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.61 -9.78 78.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.4 mmm -119.58 -35.74 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.58 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.6 p -44.82 -49.66 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -50.11 -29.71 15.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.643 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -94.13 -23.86 17.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 111.002 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.614 HG22 ' CD1' ' A' ' 37' ' ' ILE . 4.1 mt -62.28 -43.51 98.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.2 mp -53.17 -58.57 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -60.59 -40.33 91.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.27 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.614 ' CD1' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -77.73 -38.8 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 t -51.47 -46.39 63.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -31.54 67.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.832 HD11 HD11 ' A' ' 81' ' ' ILE . 16.3 mt -79.74 -36.67 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.672 ' HG3' HD12 ' A' ' 48' ' ' ILE . 38.6 mt-30 -69.48 -31.63 70.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -86.72 -37.38 17.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -58.33 -55.28 37.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.733 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 87.3 p -86.62 -17.47 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.34 30.09 76.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -111.59 158.38 19.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -89.19 141.25 28.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.672 HD12 ' HG3' ' A' ' 41' ' ' GLN . 25.5 mt -133.68 102.66 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -103.12 99.96 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 7.3 mt -95.21 125.42 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.935 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.1 mt-10 -111.15 144.03 40.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.935 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 4.4 tpm_? -91.55 119.77 31.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.8 t -70.59 129.43 39.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' A' ' 50' ' ' ILE . 61.6 m -123.55 112.45 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.38 115.24 20.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.432 HD11 ' CB ' ' A' ' 19' ' ' TYR . 1.9 mp -98.88 146.84 25.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.7 m -142.28 124.72 15.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.92 -162.24 28.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.927 ' O ' HG23 ' A' ' 71' ' ' VAL . 21.7 p -65.07 163.19 32.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.382 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.73 2.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -24.25 65.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.1 m -88.88 -29.79 19.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.927 HG23 ' O ' ' A' ' 67' ' ' THR . 60.2 t -66.22 -45.2 90.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -67.47 -51.48 50.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.44 -51.46 46.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.733 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.63 -52.4 65.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.543 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 6.9 mtpm? -47.77 -51.75 21.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.233 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -50.22 -44.85 53.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.599 ' CB ' HG23 ' A' ' 40' ' ' ILE . 10.6 mt -61.53 -55.85 26.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.419 HD23 HD13 ' A' ' 40' ' ' ILE . 97.2 mt -49.13 -63.16 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -45.51 -53.83 8.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.47 -59.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.832 HD11 HD11 ' A' ' 40' ' ' ILE . 97.6 mt -44.15 -62.07 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 79.5 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 ppp? . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.476 0.179 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 m -125.99 122.35 35.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.473 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -122.86 162.09 22.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -121.88 97.9 5.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.53 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 37.6 t80 -102.45 129.29 48.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -102.35 139.89 37.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 2.5 m -131.36 160.46 67.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.95 5.45 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.462 1.769 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.485 ' HA ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -53.06 -23.4 7.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.18 -4.13 77.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' PHE . 99.0 mmm -124.29 -39.46 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.63 ' O ' HD12 ' A' ' 30' ' ' ILE . 9.8 p -43.34 -51.04 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.505 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.14 -31.62 4.55 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.542 1.152 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.743 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -93.33 -21.44 19.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 0.742 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.616 HG22 HD13 ' A' ' 37' ' ' ILE . 17.4 mt -64.71 -42.12 94.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -56.93 -62.76 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -59.94 -40.6 89.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.616 HD13 HG22 ' A' ' 29' ' ' ILE . 6.0 tp -75.98 -44.86 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 t -44.09 -46.8 8.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -35.45 74.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.648 HD11 HD11 ' A' ' 81' ' ' ILE . 34.6 mt -74.1 -36.31 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.608 ' HG3' HD12 ' A' ' 48' ' ' ILE . 38.8 mt-30 -70.77 -34.83 72.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -83.15 -37.49 23.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -55.57 -57.05 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.764 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 89.4 p -86.8 -19.16 29.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.12 22.12 78.94 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.435 1.084 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -103.68 157.65 16.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 9.4 ttpt -89.04 144.52 26.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.608 HD12 ' HG3' ' A' ' 41' ' ' GLN . 25.2 mt -136.53 105.59 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -102.12 100.25 10.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.646 HG23 ' SG ' ' A' ' 62' ' ' CYS . 6.0 mt -97.45 126.06 50.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.011 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -129.95 139.02 51.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 1.011 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 6.2 tpm_? -85.41 115.77 23.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 t -67.67 134.06 50.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.646 ' SG ' HG23 ' A' ' 50' ' ' ILE . 74.1 m -132.28 120.95 22.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 108.325 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.1 mmm -91.92 119.35 31.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 1.4 mp -98.54 146.65 25.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 67.6 m -144.42 123.88 13.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.43 -164.44 29.38 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 p -58.35 162.5 5.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.97 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.437 1.756 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -14.2 61.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -91.8 -42.06 10.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.2 t -61.03 -37.25 76.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -49.27 43.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.239 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -57.24 -49.3 76.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.968 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.764 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -57.9 -50.78 72.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.53 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 3.9 mtpm? -47.43 -51.81 18.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -51.04 -43.74 60.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.475 ' CB ' HG23 ' A' ' 40' ' ' ILE . 45.3 mt -64.08 -44.3 92.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.577 HD23 HD13 ' A' ' 40' ' ' ILE . 84.7 mt -61.4 -61.79 2.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' GLN . 4.1 t0 -46.87 -54.95 8.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -38.6 -61.87 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.743 HG23 ' CE2' ' A' ' 28' ' ' PHE . 42.6 mt -40.53 -56.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.448 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 97.1 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.62 ' SD ' HG21 ' A' ' 71' ' ' VAL . 3.6 ppp? . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.514 0.197 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.5 m -116.13 125.57 52.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -122.72 169.36 11.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -122.34 101.01 7.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -109.93 112.95 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.87 144.71 26.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 4.2 m -136.85 159.77 68.9 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -51.79 -27.19 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.82 -8.56 57.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 28' ' ' PHE . 99.1 mmm -121.47 -38.15 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.586 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.4 p -44.09 -49.75 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.492 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -48.48 -30.72 8.57 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.431 1.082 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.717 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -94.28 -21.8 18.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.962 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.8 HG12 HG21 ' A' ' 81' ' ' ILE . 5.1 mt -64.89 -41.38 92.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.586 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.2 mp -56.52 -61.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -58.36 -37.35 75.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.623 HD13 HG22 ' A' ' 29' ' ' ILE . 7.7 tp -79.68 -43.34 23.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -44.13 -46.73 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -35.95 77.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.754 HD11 HD11 ' A' ' 81' ' ' ILE . 35.4 mt -73.48 -36.58 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.632 ' HG3' HD12 ' A' ' 48' ' ' ILE . 62.4 mt-30 -70.55 -35.17 72.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -83.7 -37.38 22.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -55.55 -56.55 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.881 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 89.3 p -87.45 -19.11 28.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.67 26.25 73.37 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -109.7 155.38 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 1.1 tttt -87.36 144.84 26.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.632 HD12 ' HG3' ' A' ' 41' ' ' GLN . 17.5 mt -135.97 105.55 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -104.11 99.89 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.805 HG23 ' SG ' ' A' ' 62' ' ' CYS . 6.3 mt -97.05 127.88 48.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.939 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 9.9 mp0 -140.57 133.96 29.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.244 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.939 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 1.6 tpt180 -86.65 127.84 34.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.449 ' O ' ' NE ' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -79.13 112.29 16.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.805 ' SG ' HG23 ' A' ' 50' ' ' ILE . 62.4 m -109.26 123.56 49.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 108.289 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.5 mtp -93.93 127.38 39.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 2.0 mp -107.22 149.53 27.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 49.7 m -144.49 125.49 14.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.412 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.79 -161.71 28.74 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.951 ' O ' HG23 ' A' ' 71' ' ' VAL . 43.3 p -61.15 161.86 15.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.74 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.93 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -17.76 64.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.9 m -89.05 -38.7 14.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.951 HG23 ' O ' ' A' ' 67' ' ' THR . 58.4 t -58.87 -45.44 91.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -67.48 -49.06 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -50.92 62.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.881 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -62.15 -42.09 98.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -52.28 -50.77 61.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -53.36 -43.54 67.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.513 ' CB ' HG23 ' A' ' 40' ' ' ILE . 17.7 mt -63.36 -51.62 65.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.427 HD23 HD13 ' A' ' 40' ' ' ILE . 88.1 mt -53.5 -68.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.75 -46.86 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.66 -61.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.8 HG21 HG12 ' A' ' 29' ' ' ILE . 57.1 mt -41.45 -58.73 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.405 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 52.9 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.4 ptm . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.525 0.203 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.5 m -119.16 132.56 55.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 8.8 tp10 -129.6 146.48 51.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 13.9 tt0 -105.96 99.08 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.457 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 22.6 t80 -104.07 119.89 39.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -94.78 130.04 41.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -122.25 163.12 33.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.32 3.53 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.767 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.91 -32.48 20.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.63 -10.63 45.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.8 mmm -120.0 -38.66 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.753 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -43.31 -49.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.542 ' HA2' HD12 ' A' ' 30' ' ' ILE . . . -48.5 -32.89 10.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.567 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.4 t80 -91.27 -21.55 21.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.57 HG22 HD13 ' A' ' 37' ' ' ILE . 4.8 mt -67.29 -31.24 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.542 HD12 ' HA2' ' A' ' 27' ' ' GLY . 2.8 mt -62.31 -59.41 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -66.31 -32.17 73.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.57 HD13 HG22 ' A' ' 29' ' ' ILE . 7.6 tp -83.68 -44.99 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.36 -50.1 6.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.89 -35.22 68.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.671 HD11 ' CD1' ' A' ' 81' ' ' ILE . 51.1 mt -72.99 -38.97 57.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.445 ' HG3' HD12 ' A' ' 48' ' ' ILE . 55.7 mt-30 -70.28 -32.73 70.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -84.61 -33.71 23.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.75 -54.5 44.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.249 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.779 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 78.0 p -89.3 -16.53 30.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.09 20.66 78.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.37 156.2 18.76 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.19 145.37 25.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.445 HD12 ' HG3' ' A' ' 41' ' ' GLN . 21.9 mt -135.56 105.15 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -101.54 101.21 11.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.491 HG23 ' SG ' ' A' ' 62' ' ' CYS . 8.5 mt -99.84 124.28 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.785 ' HB3' ' NE ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.853 0 N-CA-C 111.028 -0.412 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 2.5 mp0 -138.33 127.83 24.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.785 ' NE ' ' HB3' ' A' ' 51' ' ' ALA . 1.6 tpt180 -85.28 134.61 34.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.448 ' O ' ' NE ' ' A' ' 60' ' ' ARG . 3.0 t -77.09 128.48 34.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.491 ' SG ' HG23 ' A' ' 50' ' ' ILE . 58.5 m -122.7 107.26 11.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.315 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 97.6 mmm -78.99 116.61 19.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mp -96.37 151.97 19.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 62.5 m -144.35 128.92 18.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.66 -168.72 25.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.6 p -54.31 161.9 1.81 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.766 . . . . 0.0 110.402 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -37.03 2.21 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -21.52 62.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 m -83.36 -39.93 20.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 75' ' ' LYS . 12.3 t -60.41 -42.97 92.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.41 -53.04 48.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.1 m -53.29 -50.17 65.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.968 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.779 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.12 -47.34 83.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.457 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 13.9 mtpt -49.52 -56.11 11.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -47.21 -47.64 24.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -57.21 -41.78 80.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.588 HD23 HD13 ' A' ' 40' ' ' ILE . 66.1 mt -64.75 -68.36 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -43.08 -29.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -62.41 -66.07 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.671 ' CD1' HD11 ' A' ' 40' ' ' ILE . 75.1 mt -42.19 -47.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.4 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ptm . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.538 0.209 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.2 m -111.82 154.03 25.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 18' ' ' GLU . 8.7 tt0 -151.22 138.37 19.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 29.0 tt0 -97.67 97.75 9.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 67.2 t80 -99.74 122.55 42.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.446 ' O ' HG13 ' A' ' 21' ' ' VAL . 9.8 mmtp -89.61 155.05 19.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -153.59 162.57 26.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.402 ' HG3' HG11 ' A' ' 82' ' ' VAL . 18.3 Cg_endo -74.98 117.82 5.05 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.76 -18.94 24.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.51 -6.61 86.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.466 ' O ' ' N ' ' A' ' 28' ' ' PHE . 95.4 mmm -123.64 -41.68 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 0.751 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.585 HG21 ' HG2' ' A' ' 60' ' ' ARG . 2.2 p -42.32 -50.17 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -49.09 -34.53 16.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.645 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -87.01 -25.11 24.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 111.0 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.781 HG12 HG21 ' A' ' 81' ' ' ILE . 3.8 mt -66.09 -25.97 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.83 -60.36 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.412 1.07 . . . . 0.0 111.012 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.411 HE21 HD11 ' A' ' 81' ' ' ILE . 12.3 tp60 -48.67 -46.16 39.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.597 HD12 HD12 ' A' ' 40' ' ' ILE . 10.0 tp -69.46 -48.15 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.5 t -43.59 -50.24 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.003 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -35.53 61.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.597 HD12 HD12 ' A' ' 37' ' ' ILE . 38.8 mt -72.78 -36.41 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.754 ' CG ' HD12 ' A' ' 48' ' ' ILE . 72.1 mt-30 -70.68 -37.14 73.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -80.76 -29.59 36.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -70.08 -48.65 56.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.985 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -92.55 -6.26 50.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.016 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.2 34.75 59.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.51 154.03 37.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -82.9 144.24 30.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.754 HD12 ' CG ' ' A' ' 41' ' ' GLN . 46.4 mt -137.18 102.89 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -103.43 100.13 9.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.75 HG23 ' SG ' ' A' ' 62' ' ' CYS . 3.4 mt -99.35 135.28 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.812 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -120.53 137.82 54.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.812 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.0 tpm_? -86.05 135.08 33.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 32.2 t -89.55 127.76 35.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.75 ' SG ' HG23 ' A' ' 50' ' ' ILE . 60.7 m -123.78 106.77 10.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.5 mtp -75.13 114.41 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.554 HD23 HG12 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -98.4 146.1 26.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.3 m -144.46 125.48 14.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 149.72 -162.09 29.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 71' ' ' VAL . 17.5 p -57.8 161.99 5.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.89 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -25.29 64.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.4 m -80.89 -35.1 32.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 67' ' ' THR . 51.2 t -60.88 -39.28 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -49.74 18.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.9 m -50.38 -52.39 37.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.042 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.985 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.27 -49.52 76.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.567 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 1.7 mtpm? -48.04 -51.17 25.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 mmm-85 -51.57 -37.53 50.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.589 ' CB ' HG23 ' A' ' 40' ' ' ILE . 21.2 mt -70.72 -47.71 58.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.587 HD23 HD13 ' A' ' 40' ' ' ILE . 94.7 mt -58.25 -65.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -45.5 -48.76 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.59 -60.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.781 HG21 HG12 ' A' ' 29' ' ' ILE . 27.2 mt -46.57 -47.66 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.402 HG11 ' HG3' ' A' ' 22' ' ' PRO . 64.4 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -140.52 170.99 14.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.34 143.78 22.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.93 -178.05 30.01 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.2 -62.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.021 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.11 171.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.943 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.47 -123.84 2.24 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 71.75 73.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -163.35 128.45 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -168.69 168.72 10.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -148.09 166.53 27.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -178.28 142.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.54 131.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.513 HG13 ' CA ' ' A' ' 66' ' ' GLY . 83.8 t -122.88 144.87 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.8 ptm -128.48 158.74 37.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.3 m -111.58 135.57 51.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -128.55 146.77 50.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -108.93 109.28 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.55 ' HB2' HD11 ' A' ' 64' ' ' LEU . 21.6 t80 -116.68 131.34 56.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -101.86 139.28 37.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 4.2 m -132.58 159.51 72.15 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 117.84 5.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -52.16 -24.61 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.08 -0.39 60.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.3 mmm -127.57 -43.04 1.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 0.742 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.5 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.3 p -44.16 -49.76 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.482 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -49.64 -29.82 12.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.571 1.169 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.608 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -94.47 -20.55 19.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.788 . . . . 0.0 110.985 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.766 HG12 HG21 ' A' ' 81' ' ' ILE . 9.9 mt -65.86 -42.71 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.511 HG22 ' HA2' ' A' ' 34' ' ' GLY . 1.2 mp -54.02 -58.11 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.36 -165.55 22.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.44 89.67 7.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 0.761 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.07 1.77 59.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.564 1.165 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.511 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 87.52 34.46 10.33 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -90.61 -31.55 16.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.792 . . . . 0.0 110.246 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -63.2 -37.56 87.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.451 HD13 ' HG3' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -80.63 -37.19 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.08 -42.91 69.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -32.24 71.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.751 HD11 HD11 ' A' ' 81' ' ' ILE . 23.1 mt -76.41 -37.85 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HG3' HD13 ' A' ' 37' ' ' ILE . 33.1 mt-30 -70.93 -32.27 69.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 110.259 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -85.84 -27.04 25.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.82 -48.85 51.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.252 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.63 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 9.3 p -93.45 -8.75 40.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.3 27.02 62.41 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 158.42 18.64 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.96 144.3 25.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.683 HG12 HD23 ' A' ' 64' ' ' LEU . 44.0 mt -136.66 105.5 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.74 100.14 11.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.0 mt -95.14 137.2 24.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.84 153.01 92.16 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.74 3.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.757 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -138.64 106.51 5.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.39 -20.25 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.4 -96.37 2.09 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.13 23.38 1.58 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -94.56 155.0 40.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -28.7 8.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.498 1.788 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.9 mp0 -118.05 137.84 52.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.402 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -95.76 119.04 33.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.8 t -67.52 143.5 56.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 79.9 m -132.27 113.96 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 108.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.16 114.89 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.683 HD23 HG12 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -99.66 145.82 27.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.8 m -144.52 129.54 18.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.513 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 141.36 -166.62 26.04 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.633 ' O ' HG23 ' A' ' 71' ' ' VAL . 18.0 p -58.15 161.82 6.67 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.427 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -33.17 4.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -71.71 -24.24 61.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.4 m -85.21 -36.28 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.02 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 67' ' ' THR . 37.3 t -60.93 -45.7 97.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -66.17 -51.88 53.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.82 -47.64 42.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.63 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -62.35 -48.65 78.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -48.73 -50.68 32.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -50.94 -40.87 58.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.663 ' CB ' HG23 ' A' ' 40' ' ' ILE . 5.9 mt -65.58 -49.38 69.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.3 mt -55.83 -66.12 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.41 -41.68 6.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -58.75 5.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.766 HG21 HG12 ' A' ' 29' ' ' ILE . 67.0 mt -45.81 -51.49 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.8 t -58.17 -54.09 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.75 -51.99 61.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -61.24 -22.68 65.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -121.12 46.95 1.06 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.457 1.098 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.72 -51.23 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.77 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.9 p -179.43 150.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.971 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.07 157.0 21.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 70.57 5.3 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.1 108.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.005 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.65 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.053 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 p 58.21 67.56 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 0.784 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.55 106.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.24 85.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.553 1.158 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -165.92 140.66 4.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.0 p -137.52 149.0 46.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.019 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.78 82.62 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -179.84 131.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 0.785 . . . . 0.0 109.588 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.36 -58.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 64.04 117.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.47 155.64 26.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -137.16 175.62 9.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 m -79.51 174.41 11.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.014 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.455 HG13 ' CA ' ' A' ' 66' ' ' GLY . 61.5 t -82.01 145.68 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.2 ptm -126.45 160.86 29.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.8 m -125.81 123.45 38.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.403 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' OE1' ' NZ ' ' A' ' 75' ' ' LYS . 2.1 tt0 -117.87 172.17 7.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -125.38 98.95 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.507 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 38.6 t80 -103.42 122.81 45.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -94.35 143.53 26.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.493 HG21 HG23 ' A' ' 26' ' ' VAL . 17.1 m -138.1 158.65 70.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.98 5.1 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -29.27 15.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.48 -6.9 51.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' PHE . 96.8 mmm -124.9 -40.19 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.554 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -44.08 -49.92 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.497 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -50.01 -30.19 15.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -94.24 -22.38 18.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.992 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.64 HG12 HG21 ' A' ' 81' ' ' ILE . 4.6 mt -64.2 -41.82 93.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.609 HG22 ' HA2' ' A' ' 34' ' ' GLY . 1.2 mp -55.95 -60.23 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.13 -176.9 33.44 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.528 1.142 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -71.18 102.86 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 110.313 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 79.78 12.48 83.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.609 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 76.56 39.31 30.31 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -92.08 -33.09 14.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -58.7 -34.24 71.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.541 HD11 HD13 ' A' ' 48' ' ' ILE . 8.0 tp -84.56 -38.82 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 t -45.66 -50.8 13.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -37.32 75.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.92 HD11 HD11 ' A' ' 81' ' ' ILE . 37.6 mt -71.67 -38.12 65.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.595 ' HG3' HD12 ' A' ' 48' ' ' ILE . 35.2 mt-30 -69.96 -33.9 72.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -83.58 -31.0 26.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.9 -48.24 63.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 1.042 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -93.51 -2.12 54.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.85 36.06 25.67 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.439 1.087 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.29 150.45 43.54 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -86.03 144.32 27.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.595 HD12 ' HG3' ' A' ' 41' ' ' GLN . 20.3 mt -133.65 104.96 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.33 100.12 10.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.599 HG23 ' SG ' ' A' ' 62' ' ' CYS . 7.7 mt -95.03 142.89 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.415 ' O ' ' NH1' ' A' ' 60' ' ' ARG . . . -65.85 154.37 89.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -24.42 12.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -161.47 103.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.9 p -47.19 -32.72 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.65 -8.57 34.53 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.94 -14.98 7.92 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.9 162.53 0.24 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.781 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.98 11.31 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.533 1.807 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 10.4 mm-40 -131.27 136.49 48.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' NH1' ' O ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -93.18 115.48 28.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.8 t -62.11 132.92 54.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.078 . . . . 0.0 109.954 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.599 ' SG ' HG23 ' A' ' 50' ' ' ILE . 62.9 m -128.04 113.38 15.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 108.311 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.7 mmm -84.05 118.7 24.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 48' ' ' ILE . 1.2 mp -98.93 150.83 21.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.6 m -144.51 131.98 20.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.387 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.455 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 139.12 -169.18 24.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 71' ' ' VAL . 9.4 p -53.62 162.36 1.32 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 110.395 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.429 ' O ' ' NE2' ' A' ' 72' ' ' GLN . 18.3 Cg_endo -74.98 -41.24 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.25 -17.87 64.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 m -87.95 -41.36 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 67' ' ' THR . 26.1 t -56.74 -46.79 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 68' ' ' PRO . 1.4 mp0 -65.95 -48.67 70.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.9 m -53.97 -48.26 70.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.042 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -61.04 -44.5 97.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 19.6 mtmt -50.42 -53.0 32.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -46.94 -48.96 21.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.645 ' CB ' HG23 ' A' ' 40' ' ' ILE . 0.6 OUTLIER -58.68 -50.51 73.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.485 HD21 ' CD1' ' A' ' 37' ' ' ILE . 30.8 mt -54.42 -69.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 78' ' ' LEU . 12.1 t0 -40.56 -51.17 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -61.81 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.92 HD11 HD11 ' A' ' 40' ' ' ILE . 97.1 mt -40.57 -63.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 80.0 t -43.4 -56.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -58.78 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.4 -31.85 1.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -121.59 59.02 0.57 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -117.4 -44.35 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 75.5 m -145.19 81.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 54.23 -167.45 1.93 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 65.14 6.1 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.4 t 41.57 78.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.9 p -174.19 121.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -170.45 -58.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.028 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.69 164.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.988 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.49 -177.68 16.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -172.99 97.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 110.054 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.08 158.98 23.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.64 -138.92 5.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.8 m170 66.85 125.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.568 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -167.11 140.5 3.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.89 -57.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 43.07 -165.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -173.34 -61.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 m -136.85 -177.93 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.952 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.692 HG13 ' HA2' ' A' ' 66' ' ' GLY . 40.9 t -125.19 151.6 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.8 ptm -130.87 164.01 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 m -120.25 135.21 55.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -123.94 168.51 12.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -125.09 100.09 6.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 31.8 t80 -108.2 133.05 53.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -104.91 145.3 30.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 1.5 m -139.99 161.23 57.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.41 4.58 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.456 ' HA ' HG12 ' A' ' 26' ' ' VAL . 12.7 t70 -52.49 -21.57 3.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.2 4.32 63.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 98.6 mmm -131.31 -45.14 1.0 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 0.721 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 27' ' ' GLY . 8.2 p -42.23 -51.79 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.511 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.25 -34.98 6.51 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.687 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -87.93 -25.06 23.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.981 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.85 HG12 HG21 ' A' ' 81' ' ' ILE . 10.8 mt -63.55 -27.5 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.553 HG22 ' HA2' ' A' ' 34' ' ' GLY . 7.5 mt -61.55 -61.34 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.23 175.58 27.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -65.46 83.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 0.0 110.3 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.13 -19.81 34.22 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.553 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 109.18 34.2 2.59 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.15 -25.33 17.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -62.82 -34.95 78.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -82.49 -36.56 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 t -55.27 -39.82 70.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -64.63 -34.27 77.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.57 HG23 ' CB ' ' A' ' 77' ' ' LEU . 34.4 mt -72.05 -39.62 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.62 ' CG ' HD12 ' A' ' 48' ' ' ILE . 28.5 mt-30 -71.0 -34.14 71.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -85.41 -23.88 27.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 3.2 mm-40 -72.02 -49.06 40.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.624 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 12.3 p -95.03 -9.56 33.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 61.77 26.6 67.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -109.94 157.03 19.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -86.99 142.57 27.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.62 HD12 ' CG ' ' A' ' 41' ' ' GLN . 37.9 mt -135.0 108.08 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -105.71 100.14 9.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.9 mt -95.91 140.66 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.88 153.97 90.18 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -35.86 2.94 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.536 1.808 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.3 107.38 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 p -40.19 -42.5 1.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.89 17.45 18.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.65 7.63 62.95 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -76.07 156.44 84.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -22.29 15.07 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.7 OUTLIER -134.16 133.64 41.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.84 113.03 25.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.8 t -63.58 142.52 58.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 36.5 m -130.25 119.75 23.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.267 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -83.53 115.28 22.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.449 HD11 ' CB ' ' A' ' 19' ' ' TYR . 1.4 mp -100.95 144.16 30.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.441 HG22 HG11 ' A' ' 14' ' ' VAL . 25.5 m -144.13 125.06 14.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.692 ' HA2' HG13 ' A' ' 14' ' ' VAL . . . 146.19 -163.25 28.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.557 1.161 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 71' ' ' VAL . 5.6 p -57.6 162.58 4.64 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 110.436 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -41.19 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.11 -29.94 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.2 m -76.58 -33.93 58.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 67' ' ' THR . 22.0 t -64.46 -44.31 96.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -64.79 -54.71 26.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.257 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.8 m -47.78 -55.77 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.624 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -52.02 -51.53 56.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -46.23 -56.84 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -46.68 -47.86 20.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.57 ' CB ' HG23 ' A' ' 40' ' ' ILE . 25.7 mt -58.93 -43.54 91.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.518 HD23 HD13 ' A' ' 40' ' ' ILE . 93.9 mt -63.17 -61.36 2.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' GLN . 24.0 t0 -47.84 -50.92 24.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -38.87 -61.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.85 HG21 HG12 ' A' ' 29' ' ' ILE . 34.3 mt -42.32 -53.9 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.449 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 50.3 t -51.68 -55.9 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.87 -54.02 51.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.82 -29.84 42.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -118.3 52.06 0.72 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 82' ' ' VAL . 0.1 OUTLIER -121.3 -44.56 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.257 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.78 105.97 7.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.72 -177.97 45.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -177.68 3.64 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.73 -61.85 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.45 168.49 16.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.133 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.095 . . . . 0.0 110.964 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 t 62.33 122.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 0.741 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.77 158.07 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.39 142.66 13.35 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.51 1.131 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p -100.21 100.23 11.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 110.027 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -158.57 150.48 21.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.7 160.13 11.91 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -109.25 124.29 50.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.629 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.39 -59.08 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 62.72 103.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -171.61 172.97 4.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 61.78 124.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 m -75.44 178.47 5.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.957 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG13 ' CA ' ' A' ' 66' ' ' GLY . 21.6 t -93.87 149.17 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.402 ' SD ' HG21 ' A' ' 71' ' ' VAL . 4.2 ppp? -142.66 163.8 31.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.4 m -119.89 130.42 54.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.387 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -121.92 174.43 6.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -129.47 105.89 8.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CD1' ' HD3' ' A' ' 75' ' ' LYS . 21.6 t80 -113.28 119.96 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.82 130.66 39.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 60' ' ' ARG . 14.3 m -122.34 159.05 54.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 114.7 4.08 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.527 1.804 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.425 ' HA ' HG12 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -52.21 -21.62 3.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.78 4.11 62.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.423 ' CE ' ' HA ' ' A' ' 82' ' ' VAL . 95.5 mmm -134.6 -43.33 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.493 ' O ' HD12 ' A' ' 30' ' ' ILE . 3.4 p -43.49 -48.92 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.5 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.95 -30.87 5.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -94.17 -24.55 17.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 110.982 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.523 HG22 HD12 ' A' ' 37' ' ' ILE . 48.4 mt -63.08 -37.96 80.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.5 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.4 mp -58.15 -62.47 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.86 177.44 40.95 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.97 107.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.47 1.13 69.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.49 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 86.14 33.8 13.99 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -83.72 -31.29 26.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -60.72 -40.32 91.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.523 HD12 HG22 ' A' ' 29' ' ' ILE . 1.0 OUTLIER -77.56 -46.87 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -42.02 -43.52 3.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -42.04 99.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.931 HD11 HD11 ' A' ' 81' ' ' ILE . 53.0 mt -64.74 -40.38 88.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.633 ' CG ' HD12 ' A' ' 48' ' ' ILE . 56.8 mt-30 -69.17 -35.75 76.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -78.7 -34.05 46.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.95 -46.17 72.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.876 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -91.53 -16.23 27.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' GLN . . . 62.73 36.72 93.7 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.83 158.11 32.57 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -89.14 141.96 28.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.633 HD12 ' CG ' ' A' ' 41' ' ' GLN . 46.6 mt -133.54 101.35 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -97.58 99.99 11.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.809 HG23 ' SG ' ' A' ' 62' ' ' CYS . 3.4 mt -98.61 127.45 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.78 154.59 88.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -20.25 16.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -147.87 133.15 18.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p -95.36 18.63 12.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 110.015 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.96 10.39 68.12 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.34 14.79 63.32 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.547 HD13 ' HD2' ' A' ' 58' ' ' PRO . 0.2 OUTLIER -74.04 162.54 73.51 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.547 ' HD2' HD13 ' A' ' 57' ' ' LEU . 18.1 Cg_endo -75.06 -10.97 21.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.521 1.8 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -136.23 138.67 42.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.478 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -104.13 124.36 48.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.1 t -72.53 138.84 47.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.809 ' SG ' HG23 ' A' ' 50' ' ' ILE . 96.7 m -130.75 106.96 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 108.248 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.39 119.31 19.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.432 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.8 mp -102.05 149.99 23.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.4 m -144.38 129.32 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.415 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.492 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 145.66 -152.12 24.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 111.029 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 71' ' ' VAL . 3.0 p -77.57 164.07 60.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 67' ' ' THR . 18.2 Cg_endo -75.03 -22.65 14.54 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.76 -30.24 45.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.4 m -82.94 -38.63 22.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.772 HG12 ' HE2' ' A' ' 75' ' ' LYS . 41.8 t -58.33 -44.72 88.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -66.81 -54.27 24.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.8 m -48.81 -55.68 10.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.876 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -52.9 -52.54 57.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.772 ' HE2' HG12 ' A' ' 71' ' ' VAL . 20.1 mtmt -44.76 -54.87 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -47.92 -49.96 28.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.614 ' CB ' HG23 ' A' ' 40' ' ' ILE . 12.5 mt -56.48 -46.86 80.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.53 -68.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -40.57 -47.58 2.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.0 -66.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.931 HD11 HD11 ' A' ' 40' ' ' ILE . 51.5 mt -41.72 -56.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.423 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 84.7 t -48.4 -56.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -57.15 -56.89 15.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.9 -54.04 10.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.01 -79.07 0.29 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER 39.05 77.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.03 84.55 6.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -141.11 176.57 21.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.113 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.95 11.91 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.491 1.785 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.26 168.07 10.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.0 p -155.12 129.88 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.959 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.5 p -135.47 163.95 28.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.779 . . . . 0.0 109.992 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m -106.38 167.42 9.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.89 118.22 1.86 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -120.36 104.63 10.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.83 154.12 27.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.19 -84.69 1.82 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.4 m170 63.76 120.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 109.605 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -147.53 123.91 10.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -177.58 160.07 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.312 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -41.92 132.66 3.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -123.15 -57.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.52 143.58 7.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.66 HG13 ' HA2' ' A' ' 66' ' ' GLY . 11.6 t -126.34 151.64 33.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.5 ' SD ' HG21 ' A' ' 71' ' ' VAL . 4.2 ppp? -140.92 165.39 27.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.0 m -114.71 133.99 55.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 9.2 tp10 -131.25 146.17 52.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 13.5 tt0 -110.4 98.4 7.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.108 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.458 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 41.4 t80 -101.13 124.47 46.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -92.36 139.6 30.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 60' ' ' ARG . 29.5 m -135.29 158.01 75.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 114.01 3.92 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -51.38 -26.49 7.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.91 -7.68 56.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.1 mmm -123.39 -39.88 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.798 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -44.76 -47.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.158 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -50.88 -29.22 19.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.63 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -94.3 -21.18 19.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 0.0 110.992 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.738 HG12 HG21 ' A' ' 81' ' ' ILE . 19.0 mt -65.58 -36.47 77.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.476 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.6 mt -58.42 -56.09 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' ARG . . . 89.32 54.32 2.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER 37.99 85.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.29 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.21 -37.14 3.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' HA2' ' CG2' ' A' ' 30' ' ' ILE . . . 110.94 30.56 3.17 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -86.36 -26.03 25.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -77.55 -33.68 54.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.89 HD13 ' O ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -81.37 -33.88 12.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -55.0 -51.29 66.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -35.9 62.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.582 HG23 ' CB ' ' A' ' 77' ' ' LEU . 48.5 mt -68.75 -40.87 82.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.593 ' CG ' HD12 ' A' ' 48' ' ' ILE . 35.9 mt-30 -69.84 -36.75 75.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -78.94 -29.55 44.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.75 -53.02 37.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.885 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 6.8 p -91.39 -8.02 49.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.72 27.61 61.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.19 155.14 22.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -87.15 144.22 26.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.593 HD12 ' CG ' ' A' ' 41' ' ' GLN . 40.7 mt -136.49 105.83 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -100.74 100.13 10.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.713 HG23 ' SG ' ' A' ' 62' ' ' CYS . 4.9 mt -96.93 138.26 22.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.446 ' O ' ' NH1' ' A' ' 60' ' ' ARG . . . -65.85 154.77 88.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -41.08 0.71 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.792 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.02 110.4 7.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.496 ' O ' HD23 ' A' ' 57' ' ' LEU . 83.2 p -50.61 -32.63 19.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.31 17.58 33.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.83 5.01 63.1 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 54' ' ' SER . 4.2 mm? -69.66 154.94 94.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -23.89 13.35 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -131.88 133.32 44.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.483 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -95.01 115.77 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 t -63.19 141.65 58.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.713 ' SG ' HG23 ' A' ' 50' ' ' ILE . 89.6 m -132.31 109.45 9.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 108.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.1 mtp -77.61 116.06 17.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.464 HD23 HG12 ' A' ' 48' ' ' ILE . 1.4 mp -102.51 146.89 27.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.0 m -144.44 126.92 15.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.399 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.66 ' HA2' HG13 ' A' ' 14' ' ' VAL . . . 145.94 -170.97 27.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.932 ' O ' HG23 ' A' ' 71' ' ' VAL . 26.3 p -49.86 162.02 0.5 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 0.0 110.411 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -36.06 2.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.37 -23.13 61.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.5 m -80.11 -42.53 23.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 67' ' ' THR . 48.9 t -55.75 -45.48 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -65.47 -52.71 50.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.5 m -49.38 -55.37 13.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.885 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.27 -44.68 88.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 11.7 mtmt -48.65 -51.25 29.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -52.34 -54.37 32.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.582 ' CB ' HG23 ' A' ' 40' ' ' ILE . 13.5 mt -49.92 -47.41 52.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.448 HD23 HD13 ' A' ' 40' ' ' ILE . 95.9 mt -57.36 -70.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -40.83 -51.63 3.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -38.77 -64.35 0.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.738 HG21 HG12 ' A' ' 29' ' ' ILE . 35.1 mt -41.95 -58.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.414 ' O ' ' CG ' ' A' ' 86' ' ' ARG . 70.9 t -47.56 -41.47 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 80' ' ' GLN . 1.4 mt-10 -72.37 -64.61 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.237 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -40.45 -42.86 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.66 -49.38 24.4 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' A' ' 82' ' ' VAL . 2.3 mmt180 -42.41 -54.67 3.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.6 t 176.68 91.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.025 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 60.77 177.57 1.92 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 109.06 2.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 91' ' ' SER . 3.4 m 61.85 -84.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.947 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 90' ' ' SER . 0.9 OUTLIER 82.2 151.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.02 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.44 1.088 . . . . 0.0 110.975 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.5 95.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.003 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -67.9 122.21 17.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.45 -93.78 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.07 80.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.753 . . . . 0.0 110.014 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.3 p -153.36 125.31 7.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.039 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.85 112.65 1.12 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -108.87 83.79 1.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 109.576 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -144.44 167.68 21.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -97.9 132.31 43.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.91 99.75 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -143.77 103.69 4.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.76 140.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.761 HG13 ' CA ' ' A' ' 66' ' ' GLY . 48.6 t -128.8 149.33 33.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.4 ptm -127.01 166.38 17.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.2 m -124.53 138.2 54.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 6.2 tp10 -130.91 145.69 52.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 20.1 tt0 -103.98 106.83 17.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.551 ' CD1' ' HE2' ' A' ' 75' ' ' LYS . 36.2 t80 -114.94 125.96 54.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -96.22 150.31 20.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 0.7 OUTLIER -144.15 161.2 46.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.12 5.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.81 -21.04 6.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.18 -2.61 83.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.502 ' HE2' ' HA ' ' A' ' 82' ' ' VAL . 96.9 mmm -125.31 -45.21 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.608 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.9 p -43.7 -49.8 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.496 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.37 -31.7 4.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.54 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -94.25 -22.93 18.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.992 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.876 HG12 HG21 ' A' ' 81' ' ' ILE . 8.7 mt -64.93 -35.94 76.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.5 mp -60.77 -58.83 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.94 165.01 21.44 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.55 -62.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 0.791 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.8 28.76 10.77 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.468 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 66.51 27.8 73.36 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -92.0 -22.77 19.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -59.98 -38.84 83.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.505 HD12 HD12 ' A' ' 40' ' ' ILE . 5.8 tp -78.56 -45.41 25.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.2 t -44.44 -44.0 8.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -36.31 80.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.758 HG23 ' CB ' ' A' ' 77' ' ' LEU . 32.5 mt -73.16 -36.36 49.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.608 ' CG ' HD12 ' A' ' 48' ' ' ILE . 49.2 mt-30 -70.46 -35.38 73.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.359 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -83.28 -28.87 28.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.43 -45.28 60.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.732 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -99.03 2.51 46.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 45.0 32.83 3.41 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.505 ' CB ' ' HB2' ' A' ' 70' ' ' SER . 2.8 t -114.03 156.41 24.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -90.94 138.81 31.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.608 HD12 ' CG ' ' A' ' 41' ' ' GLN . 13.1 mt -133.21 112.62 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -113.34 99.98 8.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.57 HG23 ' SG ' ' A' ' 62' ' ' CYS . 2.9 mt -95.74 135.62 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.0 156.05 85.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -21.89 15.4 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -158.79 113.17 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' GLY . 92.1 p -70.91 59.36 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' SER . . . 37.04 -103.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.28 20.32 3.18 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.82 157.75 54.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -30.16 7.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -109.84 136.18 49.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.457 ' HG2' ' CG2' ' A' ' 50' ' ' ILE . 0.4 OUTLIER -92.32 117.65 30.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.1 t -66.14 140.31 58.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.964 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.57 ' SG ' HG23 ' A' ' 50' ' ' ILE . 57.6 m -127.91 106.14 8.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 108.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 96.8 mmm -78.75 115.79 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 mp -96.9 150.31 20.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.8 m -137.2 121.24 17.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.384 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.761 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 149.72 -147.56 17.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.83 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.0 OUTLIER -88.2 175.54 4.07 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 110.409 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.56 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 70' ' ' SER . 4.3 pt-20 -62.46 -35.74 80.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.505 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 19.5 p -75.52 -45.81 35.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 67' ' ' THR . 73.1 t -59.13 -45.53 92.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -60.75 -57.9 10.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.405 ' CB ' ' HB2' ' A' ' 44' ' ' SER . 72.6 m -48.24 -58.16 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.732 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -48.48 -53.38 18.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 19' ' ' TYR . 1.2 mtpm? -45.14 -57.69 3.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.4 ' O ' ' CD ' ' A' ' 80' ' ' GLN . 18.1 mmt180 -45.68 -46.36 14.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.758 ' CB ' HG23 ' A' ' 40' ' ' ILE . 73.5 mt -62.22 -51.6 67.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.617 HD23 HD13 ' A' ' 40' ' ' ILE . 85.1 mt -56.64 -46.89 80.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 80' ' ' GLN . 6.0 t0 -61.25 -53.0 62.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -38.34 -45.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.876 HG21 HG12 ' A' ' 29' ' ' ILE . 57.5 mt -57.16 -53.15 47.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.502 ' HA ' ' HE2' ' A' ' 25' ' ' MET . 47.0 t -65.12 -49.68 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -41.85 67.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -64.28 -61.91 1.94 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -97.73 49.39 1.44 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 82' ' ' VAL . 0.0 OUTLIER -76.29 -50.84 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.769 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.53 -56.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.13 97.42 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -54.73 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.445 1.761 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.55 119.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.33 -72.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 p -161.67 128.45 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.79 109.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.41 -170.21 11.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.7 p -174.91 115.05 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 0.803 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -169.77 166.82 9.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.986 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.29 103.28 0.16 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -169.67 151.35 4.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 0.804 . . . . 0.0 109.614 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -71.48 167.69 19.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -165.35 167.14 18.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 65.32 145.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -170.93 -53.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.65 164.57 31.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.651 HG13 ' HA2' ' A' ' 66' ' ' GLY . 38.5 t -114.78 151.66 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ptm -137.48 161.95 35.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.5 m -117.99 145.51 44.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -134.9 164.55 27.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -118.37 112.75 20.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.512 ' CD1' ' HE2' ' A' ' 75' ' ' LYS . 25.4 t80 -123.84 122.36 37.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.98 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -95.07 140.79 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 60' ' ' ARG . 3.1 m -130.37 160.25 66.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.409 ' HG3' ' CG1' ' A' ' 82' ' ' VAL . 18.3 Cg_endo -74.98 122.26 7.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.571 ' HA ' HG12 ' A' ' 26' ' ' VAL . 1.5 t0 -57.22 -18.15 14.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.03 7.95 68.82 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.2 mmm -135.65 -44.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 23' ' ' ASP . 14.6 p -42.28 -53.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.54 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.37 -34.93 6.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.697 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -87.59 -26.32 23.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 0.762 . . . . 0.0 111.009 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.802 HG22 ' CD1' ' A' ' 37' ' ' ILE . 3.3 mt -63.27 -28.34 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.573 HG22 ' HA2' ' A' ' 34' ' ' GLY . 21.0 mt -60.84 -62.22 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.33 169.79 18.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.28 -47.38 25.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -129.04 39.98 1.77 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.573 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 58.64 25.8 59.05 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -91.66 -27.82 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 0.746 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -56.18 -44.61 79.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.802 ' CD1' HG22 ' A' ' 29' ' ' ILE . 2.8 tp -69.47 -49.2 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.421 ' N ' HG23 ' A' ' 37' ' ' ILE . 10.5 t -45.24 -46.57 12.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.74 -33.27 60.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.665 HG23 ' CB ' ' A' ' 77' ' ' LEU . 22.7 mt -76.73 -35.09 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.634 ' CG ' HD12 ' A' ' 48' ' ' ILE . 65.8 mt-30 -71.27 -35.1 71.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -82.45 -28.49 31.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -72.46 -46.21 55.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 1.036 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.4 OUTLIER -95.6 -3.52 46.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.988 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 50.01 36.88 28.46 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.37 157.38 31.96 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -87.15 141.88 28.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.634 HD12 ' CG ' ' A' ' 41' ' ' GLN . 31.5 mt -134.42 102.56 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -101.68 101.64 12.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.1 mt -98.8 124.81 52.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.912 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . -66.3 156.56 84.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -66.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.564 1.823 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.78 132.13 39.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.558 ' O ' HD23 ' A' ' 57' ' ' LEU . 98.4 p -83.0 -11.93 57.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.25 14.04 82.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.83 25.66 21.94 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 54' ' ' SER . 4.5 mm? -88.79 154.9 50.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -30.1 7.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.475 1.776 . . . . 0.0 111.031 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -124.86 138.61 54.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.912 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.0 tpm_? -91.94 128.14 37.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.416 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 12.6 t -78.44 141.02 38.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.9 m -132.31 108.72 9.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.258 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -77.67 114.55 16.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 1.7 mp -98.34 147.88 24.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 91.6 m -144.16 134.58 24.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.339 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.651 ' HA2' HG13 ' A' ' 14' ' ' VAL . . . 138.48 -163.66 25.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.456 1.098 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.833 ' O ' HG23 ' A' ' 71' ' ' VAL . 60.6 p -57.4 161.38 5.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -38.6 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.59 -16.0 63.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.2 m -90.84 -39.43 12.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.039 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 67' ' ' THR . 85.5 t -57.68 -42.08 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -54.61 10.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.4 m -46.83 -50.92 17.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.036 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -59.43 -49.41 77.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.512 ' HE2' ' CD1' ' A' ' 19' ' ' TYR . 4.1 mtpm? -48.38 -52.12 23.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.03 -45.05 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.665 ' CB ' HG23 ' A' ' 40' ' ' ILE . 14.6 mt -62.62 -45.03 94.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.347 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.488 HD23 HD13 ' A' ' 40' ' ' ILE . 85.6 mt -61.35 -66.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -44.74 -44.44 9.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -45.8 -65.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.697 HG23 ' CE2' ' A' ' 28' ' ' PHE . 46.2 mt -42.07 -50.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.409 ' CG1' ' HG3' ' A' ' 22' ' ' PRO . 73.0 t -59.23 -59.31 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -50.13 -47.13 54.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.347 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -55.06 -48.74 73.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.74 60.59 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 111.043 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.76 91.51 8.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 110.273 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.5 t -115.81 -69.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.82 -166.47 12.15 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 93.66 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.55 1.816 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -84.94 123.57 30.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.05 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.6 p -74.67 82.62 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.06 173.26 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 m 60.97 145.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.92 -168.63 20.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.571 1.169 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -152.24 157.7 41.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.982 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 174.78 125.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.54 110.49 0.44 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -179.97 119.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 109.562 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -140.01 114.67 9.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -112.72 151.57 30.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -159.64 142.97 14.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -154.38 -59.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.3 p -160.96 174.08 14.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.22 148.27 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ptm -126.52 163.65 22.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.5 m -116.08 135.64 53.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.452 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.0 tp10 -125.83 147.04 49.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 15.3 tt0 -108.97 100.88 10.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.493 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 28.0 t80 -109.02 125.06 51.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -98.24 134.39 41.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' ARG . 11.9 m -124.67 159.26 59.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.99 4.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.471 ' HA ' HG12 ' A' ' 26' ' ' VAL . 11.4 t70 -53.59 -21.06 5.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.76 -2.17 85.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.459 ' CB ' HG22 ' A' ' 82' ' ' VAL . 97.6 mmm -127.08 -39.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.706 ' O ' HD12 ' A' ' 30' ' ' ILE . 9.8 p -42.5 -52.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.531 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.21 -33.66 5.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.603 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -90.97 -22.75 20.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.6 HG12 HG21 ' A' ' 81' ' ' ILE . 5.1 mt -63.83 -47.34 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.706 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.7 mp -47.96 -61.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.48 166.02 16.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -41.28 -56.64 2.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.94 26.12 8.08 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.704 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 72.25 23.3 78.16 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -87.38 -26.46 23.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -57.57 -44.29 85.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.572 HD13 HG22 ' A' ' 29' ' ' ILE . 3.8 tp -74.58 -40.77 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.82 -50.84 24.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.95 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -33.05 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.557 HG23 ' CB ' ' A' ' 77' ' ' LEU . 37.1 mt -75.52 -38.08 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.467 ' CG ' HD12 ' A' ' 48' ' ' ILE . 42.2 mt-30 -69.69 -34.3 73.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -84.15 -35.54 23.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.22 -55.25 37.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.768 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 96.2 p -87.37 -19.95 27.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.19 22.3 79.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.563 1.164 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.64 158.43 16.71 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.85 143.67 26.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.486 HG12 HD23 ' A' ' 64' ' ' LEU . 25.9 mt -134.75 102.96 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.71 100.71 11.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.675 HG23 ' SG ' ' A' ' 62' ' ' CYS . 5.4 mt -96.28 123.22 48.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.932 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . -66.89 159.98 72.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -80.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.504 1.791 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.448 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -80.31 130.49 35.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' GLY . 4.1 p -87.66 43.73 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.958 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' SER . . . 36.92 -95.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 54' ' ' SER . . . -150.63 23.62 1.05 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -95.2 154.32 39.53 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.518 0.776 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -30.95 6.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 2.2 mp0 -110.06 140.26 44.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.932 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 4.0 tpm_? -87.8 124.83 34.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.6 t -73.17 128.76 36.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.675 ' SG ' HG23 ' A' ' 50' ' ' ILE . 94.8 m -122.79 109.3 14.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.37 114.64 16.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD23 HG12 ' A' ' 48' ' ' ILE . 1.2 mp -98.39 146.12 26.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 m -144.41 134.48 24.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.05 -166.14 25.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 71' ' ' VAL . 71.3 p -55.55 161.3 3.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.527 0.781 . . . . 0.0 110.405 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -31.98 5.78 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.496 1.787 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -75.94 -22.16 56.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.6 m -84.55 -34.38 23.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 67' ' ' THR . 13.0 t -61.99 -42.46 94.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -69.18 -56.51 7.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.9 m -47.23 -54.06 11.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.768 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -55.13 -51.52 66.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.493 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 2.7 mtpm? -45.98 -53.36 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -49.99 -49.51 50.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.557 ' CB ' HG23 ' A' ' 40' ' ' ILE . 42.2 mt -57.95 -40.23 80.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.44 HD23 HD13 ' A' ' 40' ' ' ILE . 83.8 mt -64.93 -68.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -41.96 -49.86 4.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.36 -60.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.603 HG23 ' CE2' ' A' ' 28' ' ' PHE . 53.8 mt -42.71 -61.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.459 HG22 ' CB ' ' A' ' 25' ' ' MET . 54.9 t -49.26 -49.1 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -57.77 -59.8 4.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -47.58 -48.65 27.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.76 -47.88 82.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -45.01 -43.27 9.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.3 t 48.88 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.948 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 150.45 -170.31 30.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.17 40.47 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.521 1.801 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.8 t -74.4 134.29 42.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.5 p -144.21 133.11 22.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.961 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 58.2 101.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.995 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -127.83 -58.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.35 170.23 13.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.46 148.24 41.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -106.15 128.28 53.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.05 -92.33 0.27 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -174.51 145.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.58 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.73 139.62 14.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.92 168.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 59.28 85.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.41 136.18 33.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.3 m -102.89 161.61 13.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.953 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.472 HG13 ' CA ' ' A' ' 66' ' ' GLY . 93.9 t -117.54 150.73 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ptm -128.61 164.99 21.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.5 m -116.87 143.23 45.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.4 tp10 -136.14 145.28 45.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 6.7 tt0 -109.36 108.18 18.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.587 ' HB2' HD11 ' A' ' 64' ' ' LEU . 21.4 t80 -111.33 121.56 45.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.45 132.13 38.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 2.1 m -128.14 160.42 61.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.431 ' HG2' ' CG ' ' A' ' 25' ' ' MET . 18.4 Cg_endo -74.92 119.71 5.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -53.19 -24.44 10.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.13 -3.19 68.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.0 mmm -124.57 -40.27 2.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.599 ' O ' HD12 ' A' ' 30' ' ' ILE . 4.4 p -43.99 -50.79 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -48.71 -30.35 8.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.464 1.102 . . . . 0.0 110.976 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.725 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.1 t80 -94.29 -20.78 19.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 0.769 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.783 HG12 HG21 ' A' ' 81' ' ' ILE . 7.1 mt -65.58 -40.61 88.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -57.36 -62.42 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.83 60.66 1.07 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 39.71 85.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 110.251 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.55 -46.2 1.2 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 0.0 110.955 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.547 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 127.95 42.74 0.25 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -95.26 -29.64 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.74 -33.45 66.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.286 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.54 HD13 HG22 ' A' ' 29' ' ' ILE . 5.0 tp -82.52 -33.35 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.1 t -51.96 -57.48 9.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.69 -33.12 21.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.795 HD11 HD11 ' A' ' 81' ' ' ILE . 36.3 mt -74.77 -38.64 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.647 ' CG ' HD12 ' A' ' 48' ' ' ILE . 37.8 mt-30 -69.37 -34.29 74.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -82.19 -36.65 27.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.16 -55.6 32.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.727 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 87.8 p -87.28 -17.93 31.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 68.59 27.01 74.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -109.36 158.38 17.97 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -90.79 141.8 28.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.647 HD12 ' CG ' ' A' ' 41' ' ' GLN . 18.5 mt -132.86 106.15 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.19 102.74 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.647 HG23 ' SG ' ' A' ' 62' ' ' CYS . 3.9 mt -99.2 137.69 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.715 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . -68.39 160.72 74.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -32.61 5.18 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -146.55 155.6 42.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' A' ' 55' ' ' GLY . 77.3 p -94.02 -69.04 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' N ' ' OG ' ' A' ' 54' ' ' SER . . . 52.09 93.8 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.557 1.161 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.17 -60.33 0.66 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.6 mm? -112.92 154.61 44.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.7 10.67 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.7 OUTLIER -94.94 134.74 37.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.715 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.0 tpm_? -88.61 123.8 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.433 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 11.8 t -72.72 138.08 46.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.647 ' SG ' HG23 ' A' ' 50' ' ' ILE . 59.8 m -129.31 115.32 17.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 108.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.6 mtp -83.22 116.43 22.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.587 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -97.86 148.78 23.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.8 m -144.26 128.47 17.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.375 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.472 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 142.27 -166.36 26.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.968 ' O ' HG23 ' A' ' 71' ' ' VAL . 8.4 p -57.37 162.62 4.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 110.415 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -35.53 3.05 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -70.48 -24.06 62.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 m -85.13 -33.69 22.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 110.042 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 67' ' ' THR . 80.3 t -61.91 -48.81 86.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -63.97 -52.54 59.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.73 -56.38 5.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.727 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -54.86 -50.66 68.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.559 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 4.5 mtpt -47.01 -53.49 12.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -49.38 -47.25 47.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.528 ' CB ' HG23 ' A' ' 40' ' ' ILE . 18.7 mt -62.57 -47.35 84.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.511 HD21 ' CD1' ' A' ' 37' ' ' ILE . 94.7 mt -56.87 -67.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -40.91 -46.78 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.19 -58.3 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.266 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.795 HD11 HD11 ' A' ' 40' ' ' ILE . 75.8 mt -41.19 -62.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.426 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 61.5 t -46.58 -58.87 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.07 -55.58 16.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -24.28 42.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -119.84 52.51 0.72 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.27 97.53 6.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.1 p -171.85 161.51 5.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.15 -85.66 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.85 40.82 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.812 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.3 m 54.71 103.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.8 t -146.84 79.65 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.954 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -176.93 156.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 110.013 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 t -84.18 169.65 14.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.995 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.74 65.64 0.27 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -111.92 133.64 53.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.754 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -139.16 140.53 37.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.16 155.99 23.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.415 1.072 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.28 153.04 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 0.795 . . . . 0.0 109.575 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.59 106.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -96.15 146.44 24.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.25 167.81 10.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.78 154.55 18.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.0 m 57.01 167.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.952 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.711 HG13 ' CA ' ' A' ' 66' ' ' GLY . 84.7 t -125.72 151.48 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.3 ptm -128.75 165.14 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.1 m -110.28 150.39 28.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.58 1.175 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.6 tp10 -141.44 146.05 36.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 5.6 tt0 -110.36 107.71 17.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.566 ' HB2' HD11 ' A' ' 64' ' ' LEU . 20.3 t80 -115.37 125.47 53.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.35 134.25 42.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 60' ' ' ARG . 4.9 m -125.56 159.42 60.71 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 118.94 5.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' HA ' HG12 ' A' ' 26' ' ' VAL . 1.5 t70 -53.2 -22.91 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.06 -2.69 79.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.5 mmm -125.9 -40.38 2.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.695 ' O ' HD12 ' A' ' 30' ' ' ILE . 6.3 p -43.38 -51.43 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.503 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -47.93 -31.09 7.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.602 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.1 t80 -93.44 -20.76 20.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.745 HG12 HG21 ' A' ' 81' ' ' ILE . 7.9 mt -65.72 -41.94 91.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.695 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.9 mp -53.5 -57.18 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' ARG . . . 92.82 57.45 1.41 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' GLY . 6.8 mmm180 38.64 85.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.15 -42.89 1.85 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.463 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 121.09 39.07 0.61 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -94.47 -26.78 16.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -75.28 -34.15 61.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.575 ' HA ' HD12 ' A' ' 40' ' ' ILE . 2.4 tp -76.62 -46.17 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -44.2 -56.97 3.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -48.21 -31.95 6.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 110.245 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.74 HD11 HD11 ' A' ' 81' ' ' ILE . 33.3 mt -77.36 -38.63 27.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.655 ' CG ' HD12 ' A' ' 48' ' ' ILE . 64.7 mt-30 -68.58 -32.88 73.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -84.69 -38.78 19.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.01 -57.07 13.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.75 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 95.0 p -86.18 -19.9 29.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.954 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.94 25.1 75.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.74 157.63 17.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 9.3 tttp -88.01 142.53 27.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.655 HD12 ' CG ' ' A' ' 41' ' ' GLN . 21.8 mt -134.26 104.14 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -103.98 100.15 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.72 HG23 ' SG ' ' A' ' 62' ' ' CYS . 5.7 mt -94.11 126.7 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.941 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . -65.76 158.78 73.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -78.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.26 129.77 34.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.49 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.3 t -83.98 2.85 36.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.79 10.93 47.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.54 18.53 44.73 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 54' ' ' SER . 4.2 mm? -76.07 155.63 84.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.777 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -25.45 11.84 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.801 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -129.73 135.41 48.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.941 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 4.2 tpm_? -87.9 124.78 34.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -74.94 135.82 41.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.021 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.72 ' SG ' HG23 ' A' ' 50' ' ' ILE . 75.0 m -130.67 104.4 7.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 108.29 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.2 mmm -76.88 118.36 19.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.6 mp -99.77 150.53 22.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.6 m -144.51 126.92 15.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.711 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 146.6 -165.26 28.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.707 ' O ' HG23 ' A' ' 71' ' ' VAL . 38.7 p -57.14 161.82 4.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -35.24 3.29 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.523 1.802 . . . . 0.0 111.047 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.75 -19.81 61.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 110.241 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.9 m -87.6 -35.23 18.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.036 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 67' ' ' THR . 48.4 t -60.62 -46.76 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -66.49 -52.64 43.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -47.13 -48.57 23.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.75 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -62.93 -48.24 79.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.538 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 5.1 mtpm? -51.18 -49.44 60.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -53.23 -34.92 59.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.525 ' CB ' HG23 ' A' ' 40' ' ' ILE . 13.6 mt -75.43 -40.64 57.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 40' ' ' ILE . 87.1 mt -65.75 -62.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.23 -46.22 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -60.25 2.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.745 HG21 HG12 ' A' ' 29' ' ' ILE . 73.2 mt -41.16 -57.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.414 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 74.8 t -50.82 -58.56 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -51.3 -53.39 36.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -54.14 -21.06 7.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.418 ' HA3' ' HE1' ' A' ' 25' ' ' MET . . . -126.96 55.16 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.43 109.74 16.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.52 89.97 1.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.31 -73.64 1.06 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.466 1.103 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.83 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 97.9 p -178.52 125.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 t -163.93 79.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.015 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.8 p -106.71 131.72 53.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -64.18 133.95 53.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.039 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.1 142.67 6.13 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.53 98.78 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 110.014 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 m -118.14 163.28 16.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.28 153.02 8.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -143.11 163.94 31.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 109.607 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -123.92 172.73 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -167.11 152.77 7.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -135.38 154.57 51.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -143.11 -63.59 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.8 m -155.88 177.83 10.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.648 HG13 ' CA ' ' A' ' 66' ' ' GLY . 29.0 t -110.98 147.08 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 ptm -129.4 166.07 20.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.3 m -120.01 124.49 46.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -118.83 160.49 21.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -121.07 103.86 9.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.57 ' HB2' HD11 ' A' ' 64' ' ' LEU . 35.8 t80 -111.78 129.52 56.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -100.27 145.71 27.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 60' ' ' ARG . 3.1 m -136.0 160.31 67.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.407 ' HG2' ' CG ' ' A' ' 25' ' ' MET . 18.3 Cg_endo -74.98 118.63 5.34 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.469 ' HA ' HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -52.45 -22.36 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.83 6.37 62.35 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.7 mmm -133.61 -43.03 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 0.782 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.525 HG13 ' N ' ' A' ' 27' ' ' GLY . 9.5 p -43.27 -52.3 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.525 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.05 -30.89 4.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.635 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -94.29 -21.31 19.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.777 . . . . 0.0 110.993 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.839 HG12 HG21 ' A' ' 81' ' ' ILE . 10.5 mt -65.94 -33.31 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.491 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.3 mp -64.42 -62.0 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.19 171.9 20.11 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.444 1.09 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -43.6 -58.91 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.306 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.23 36.38 3.07 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 66.79 31.23 77.72 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.81 -17.32 23.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -72.16 -39.73 68.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.526 HD11 HG21 ' A' ' 48' ' ' ILE . 6.1 tp -77.67 -39.38 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.1 t -47.21 -53.89 12.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -35.31 59.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.52 HG23 ' HB2' ' A' ' 77' ' ' LEU . 32.2 mt -73.59 -38.05 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.697 ' HG3' HD12 ' A' ' 48' ' ' ILE . 34.3 mt-30 -69.9 -33.7 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -84.62 -37.1 21.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.278 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.65 -57.04 13.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.641 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 96.8 p -87.26 -19.27 28.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.73 21.78 79.45 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -103.19 158.41 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 12.2 ttmm -91.41 140.5 29.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.697 HD12 ' HG3' ' A' ' 41' ' ' GLN . 14.4 mt -131.22 108.8 15.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -108.42 102.58 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.443 HG23 ' SG ' ' A' ' 62' ' ' CYS . 8.3 mt -98.73 136.45 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.807 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . -65.84 155.82 85.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -46.55 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -120.37 126.09 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.409 ' HA ' ' NE ' ' A' ' 60' ' ' ARG . 42.1 p -65.94 -48.49 71.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.957 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.93 23.73 8.05 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.103 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.8 18.64 67.41 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.8 155.13 73.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.546 0.792 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -29.81 7.88 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.3 mp0 -130.88 138.5 49.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.807 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.1 tpm_? -88.28 126.41 35.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 t -78.71 134.05 37.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.965 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.443 ' SG ' HG23 ' A' ' 50' ' ' ILE . 55.6 m -129.35 114.35 16.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 108.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 93.9 mmm -85.08 118.63 24.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.2 mp -94.91 148.94 21.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 m -144.45 119.08 9.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.453 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.648 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 153.1 -162.5 30.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 71' ' ' VAL . 3.9 p -60.28 163.15 8.94 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.538 0.787 . . . . 0.0 110.394 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -36.08 2.79 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.53 1.805 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -74.0 -16.1 61.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.0 m -89.26 -34.08 16.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 67' ' ' THR . 55.2 t -63.43 -44.53 98.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -65.8 -55.99 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.29 -50.95 11.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.641 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.36 -55.94 28.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 4.7 mtpp -43.55 -47.84 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -54.77 -40.5 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.52 ' HB2' HG23 ' A' ' 40' ' ' ILE . 31.6 mt -70.08 -53.15 18.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.506 HD23 HD13 ' A' ' 40' ' ' ILE . 90.9 mt -52.48 -63.9 0.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' GLN . 59.1 t0 -43.82 -52.18 6.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.4 OUTLIER -38.79 -58.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.839 HG21 HG12 ' A' ' 29' ' ' ILE . 43.0 mt -43.42 -59.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.436 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 99.0 t -46.76 -57.72 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.05 -57.18 12.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -25.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -131.88 65.09 0.6 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.93 -41.84 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 25.3 m -71.71 168.48 17.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -168.98 -88.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -50.87 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.2 p -178.14 95.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 t -162.94 124.66 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.035 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -160.47 146.14 14.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.72 143.93 14.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.63 -165.6 10.88 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.57 1.169 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -164.82 138.45 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.02 151.13 42.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.937 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.99 -176.88 14.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -159.45 -62.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.623 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -52.28 144.32 13.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -167.78 123.14 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -124.02 172.04 9.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -111.82 -52.67 2.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.2 m -64.06 161.64 15.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.034 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.718 HG13 ' CA ' ' A' ' 66' ' ' GLY . 99.0 t -123.29 148.29 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.9 ptm -116.19 163.29 16.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.3 m -123.24 139.83 53.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.367 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.8 tp10 -130.04 146.48 51.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 16.1 tt0 -105.64 101.94 11.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.619 ' HB2' HD11 ' A' ' 64' ' ' LEU . 12.1 t80 -108.93 123.85 49.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -98.19 135.98 39.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 1.7 m -128.51 161.16 58.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 117.45 4.9 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.55 -30.81 21.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.21 -9.75 55.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.4 mmm -121.74 -37.69 2.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.594 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.8 p -44.16 -49.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -50.09 -29.92 15.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.593 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.5 t80 -94.27 -21.45 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.724 HG12 HG21 ' A' ' 81' ' ' ILE . 6.6 mt -64.57 -43.1 96.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -53.69 -66.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.55 167.67 33.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.161 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -55.75 107.39 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.09 4.46 72.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.01 37.38 18.99 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -87.54 -25.26 23.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -69.14 -37.43 78.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.481 HD13 HG22 ' A' ' 29' ' ' ILE . 5.2 tp -80.75 -37.12 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.11 -52.89 31.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.454 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -53.84 -33.94 57.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.801 HD11 HD11 ' A' ' 81' ' ' ILE . 31.9 mt -74.35 -38.81 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.578 ' CG ' HD12 ' A' ' 48' ' ' ILE . 34.6 mt-30 -70.29 -32.49 70.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -87.1 -31.4 20.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 39' ' ' ARG . 3.2 mm-40 -62.49 -54.0 46.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.735 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 77.4 p -89.75 -16.38 30.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 70.76 20.1 77.21 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.34 158.1 16.57 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.62 144.75 25.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.578 HD12 ' CG ' ' A' ' 41' ' ' GLN . 18.7 mt -135.26 106.83 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -104.08 107.6 18.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.479 HG23 ' SG ' ' A' ' 62' ' ' CYS . 8.2 mt -105.2 136.34 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.808 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . -66.96 154.54 92.18 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -41.68 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 0.0 110.96 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -121.49 130.69 53.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.329 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.42 ' HA ' ' NE ' ' A' ' 60' ' ' ARG . 69.3 p -76.6 -35.41 58.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.05 -81.45 0.51 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.16 29.55 0.2 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -98.93 154.7 37.23 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -30.52 7.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 2.4 mp0 -121.56 140.25 52.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.808 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.1 tpm_? -87.53 129.9 34.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 t -78.54 127.6 32.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.479 ' SG ' HG23 ' A' ' 50' ' ' ILE . 56.6 m -125.12 115.47 20.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 108.294 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 93.6 mmm -88.56 116.04 26.51 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.619 HD11 ' HB2' ' A' ' 19' ' ' TYR . 1.8 mp -95.22 152.06 18.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.464 HG22 HG11 ' A' ' 14' ' ' VAL . 90.8 m -143.72 124.23 13.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.363 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.718 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 147.02 -166.07 28.47 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 71' ' ' VAL . 42.8 p -56.55 161.31 4.4 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 110.431 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -34.01 4.11 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.779 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -73.51 -23.7 60.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.5 m -80.86 -38.39 28.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 67' ' ' THR . 42.4 t -61.23 -47.65 92.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -61.2 2.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 m -44.87 -54.72 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.735 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -53.13 -53.95 42.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 0.5 OUTLIER -44.06 -54.08 5.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -50.25 -43.86 53.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.25 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.509 ' CB ' HG23 ' A' ' 40' ' ' ILE . 51.6 mt -63.26 -38.61 91.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.525 HD23 HD13 ' A' ' 40' ' ' ILE . 96.0 mt -69.84 -66.31 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -41.63 -34.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -59.31 5.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.801 HD11 HD11 ' A' ' 40' ' ' ILE . 86.6 mt -40.32 -54.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.2 t -52.05 -55.35 10.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.27 -53.75 54.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.37 -26.4 4.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -123.58 51.3 0.81 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.54 -44.78 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.5 m -89.98 -61.7 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.983 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.89 -152.69 8.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 130.09 12.93 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.53 111.8 23.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.964 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.6 t -134.44 134.58 41.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.103 . . . . 0.0 110.016 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.427 1.079 . . . . 0.0 111.004 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -164.56 168.35 18.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 0.0 110.008 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.1 p -156.81 163.94 38.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.036 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.23 129.28 1.26 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.53 1.144 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.43 126.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 109.961 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -178.72 132.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.026 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.53 175.13 27.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -157.22 113.29 2.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.626 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.85 138.31 9.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -139.65 79.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -172.3 133.82 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.12 119.81 26.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.252 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.6 p -150.1 167.98 25.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.011 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.467 HG13 ' CA ' ' A' ' 66' ' ' GLY . 49.8 t -134.85 144.0 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.819 ' CE ' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -131.22 165.41 23.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.9 m -119.2 133.49 55.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 24.8 tp10 -125.48 145.93 49.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 15.7 tt0 -101.57 100.69 11.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.231 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.412 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 23.5 t80 -108.22 121.88 45.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.34 142.99 27.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' ARG . 8.8 m -134.66 159.2 73.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 118.34 5.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.472 ' HA ' HG12 ' A' ' 26' ' ' VAL . 7.6 t0 -52.63 -25.45 10.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.27 -3.44 65.61 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' PHE . 91.2 mmm -125.74 -39.97 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 27' ' ' GLY . 6.1 p -43.04 -50.93 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.494 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -49.89 -33.08 19.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.672 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -90.48 -22.59 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 0.791 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.707 HG12 HG21 ' A' ' 81' ' ' ILE . 3.8 mt -63.71 -42.07 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.411 HG22 ' HA2' ' A' ' 34' ' ' GLY . 8.2 mt -56.92 -72.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 118.57 166.88 13.76 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.41 -48.55 1.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 0.752 . . . . 0.0 110.311 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.55 28.71 3.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 70.15 32.76 69.06 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -91.72 -19.35 22.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.271 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -73.45 -36.84 65.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.253 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.696 HD13 HG22 ' A' ' 29' ' ' ILE . 3.3 tp -80.61 -36.0 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.9 t -52.81 -53.73 44.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -52.07 -31.26 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.707 HG23 ' HB2' ' A' ' 77' ' ' LEU . 29.5 mt -76.87 -38.74 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.577 ' HG3' HD12 ' A' ' 48' ' ' ILE . 46.4 mt-30 -68.6 -35.06 76.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -82.98 -37.16 24.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' HB3' HD11 ' A' ' 77' ' ' LEU . 8.8 mm-40 -57.22 -55.23 37.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.801 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 97.3 p -87.89 -19.31 27.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.09 26.41 73.85 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.54 157.26 19.83 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.35 144.78 25.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.577 HD12 ' HG3' ' A' ' 41' ' ' GLN . 20.6 mt -135.36 105.88 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -104.22 108.43 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.098 . . . . 0.0 110.26 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.657 HG23 ' SG ' ' A' ' 62' ' ' CYS . 4.0 mt -104.51 126.97 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.955 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . -65.72 158.87 72.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -63.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.13 140.5 29.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' GLY . 59.9 p -93.1 23.01 4.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 50.3 -90.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' SER . . . -157.04 26.18 0.49 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -100.46 154.3 37.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.339 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -29.87 7.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.3 mp0 -112.58 140.78 47.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.955 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.0 tpm_? -88.96 126.01 35.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.252 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -73.61 136.77 43.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.657 ' SG ' HG23 ' A' ' 50' ' ' ILE . 80.9 m -130.7 118.46 20.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 1.4 mtp -86.52 118.96 26.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.412 ' CD1' ' HB2' ' A' ' 19' ' ' TYR . 1.4 mp -101.67 147.47 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.7 m -144.5 128.45 17.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.467 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 143.93 -168.75 26.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.038 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.866 ' O ' HG23 ' A' ' 71' ' ' VAL . 9.6 p -51.34 162.18 0.69 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 110.379 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.78 2.93 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.788 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -72.54 -28.62 62.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.2 m -72.99 -42.26 63.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 67' ' ' THR . 65.6 t -56.57 -52.1 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -58.62 -48.6 80.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.56 -50.85 64.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.801 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -64.3 -44.26 92.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.601 ' HE2' HG12 ' A' ' 71' ' ' VAL . 29.0 mtmt -49.56 -43.42 45.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -64.7 -53.23 50.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.707 ' HB2' HG23 ' A' ' 40' ' ' ILE . 71.9 mt -53.01 -31.64 42.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.496 HD23 HD13 ' A' ' 40' ' ' ILE . 96.3 mt -76.78 -67.78 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -42.32 -40.45 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.44 -60.98 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.707 HG21 HG12 ' A' ' 29' ' ' ILE . 32.5 mt -40.36 -58.78 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.0 t -45.06 -60.8 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.3 -56.72 16.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -43.89 -30.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -117.25 46.64 1.12 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 88' ' ' GLY . 2.0 mtt180 -126.41 -174.6 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 0.784 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.9 -74.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.978 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 86' ' ' ARG . . . -156.52 -149.79 5.47 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.475 1.11 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 91' ' ' SER . 18.3 Cg_endo -74.98 -30.12 7.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.546 1.813 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.94 -83.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 89' ' ' PRO . 67.1 m -125.93 99.83 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t 72.04 -59.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 0.772 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -133.84 109.67 9.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.79 137.13 2.2 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.442 1.089 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -170.89 96.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 p -152.91 112.66 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.63 134.54 35.48 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -157.92 73.09 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.577 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -102.03 144.34 30.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -149.28 104.64 3.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -110.16 -171.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.54 -176.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.73 151.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.589 HG13 ' CA ' ' A' ' 66' ' ' GLY . 15.7 t -133.02 147.38 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.529 ' SD ' HG21 ' A' ' 71' ' ' VAL . 3.6 ppp? -136.11 165.26 26.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.2 m -121.68 132.07 54.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.426 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -130.91 147.59 52.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -105.56 99.69 9.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.533 ' CD1' ' HE2' ' A' ' 75' ' ' LYS . 35.8 t80 -105.71 116.7 32.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -92.36 141.14 28.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -132.85 162.75 55.59 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.25 4.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -53.24 -28.56 27.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.05 -6.39 52.63 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.4 ' HE2' ' HA ' ' A' ' 82' ' ' VAL . 91.2 mmm -121.81 -40.32 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.424 0.72 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.7 p -43.79 -48.43 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.5 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -46.61 -30.95 4.88 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.469 1.105 . . . . 0.0 111.037 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.64 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -94.38 -24.11 17.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 0.742 . . . . 0.0 110.99 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.797 HG12 HG21 ' A' ' 81' ' ' ILE . 38.6 mt -64.14 -33.51 62.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.5 ' CD1' ' HA2' ' A' ' 27' ' ' GLY . 1.8 mt -61.04 -60.37 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.46 59.89 1.33 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.3 90.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.746 . . . . 0.0 110.312 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.41 -39.15 2.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.462 ' HA2' ' CG2' ' A' ' 30' ' ' ILE . . . 119.18 36.49 0.87 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -89.32 -27.77 20.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -73.66 -34.83 65.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.683 HD13 HG22 ' A' ' 29' ' ' ILE . 3.1 tp -77.01 -48.17 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 37' ' ' ILE . 22.9 t -44.07 -50.08 8.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.06 -33.77 53.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.727 HG23 ' CB ' ' A' ' 77' ' ' LEU . 22.0 mt -76.6 -37.74 29.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.696 ' CG ' HD12 ' A' ' 48' ' ' ILE . 70.2 mt-30 -69.76 -31.57 69.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -85.68 -34.11 21.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.2 -51.49 66.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.754 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 72.9 p -89.91 -16.87 29.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.038 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 67.02 25.56 73.31 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -107.05 157.74 17.59 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -89.53 142.95 27.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.696 HD12 ' CG ' ' A' ' 41' ' ' GLN . 29.5 mt -135.39 102.12 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -96.81 100.12 11.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.492 HG23 ' SG ' ' A' ' 62' ' ' CYS . 5.6 mt -100.6 120.78 50.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.933 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . -66.2 160.27 65.78 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -75.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 5.2 m-20 -82.96 130.83 35.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 56' ' ' GLY . 0.9 OUTLIER -87.78 43.52 1.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 36.99 -95.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 54' ' ' SER . . . -151.16 22.4 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.06 154.12 39.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 109.25 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -29.85 7.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.778 . . . . 0.0 111.019 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 15.2 mp0 -109.37 142.49 40.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.933 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 4.0 tpm_? -90.45 124.66 35.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.7 t -72.92 128.25 34.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.492 ' SG ' HG23 ' A' ' 50' ' ' ILE . 56.8 m -125.73 109.51 12.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 108.277 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 89.5 mmm -81.13 123.07 28.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.456 HD11 ' CB ' ' A' ' 19' ' ' TYR . 1.7 mp -103.37 146.35 28.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.3 m -144.29 125.84 14.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.589 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 150.7 -151.38 23.4 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.135 . . . . 0.0 111.036 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.713 ' O ' HG23 ' A' ' 71' ' ' VAL . 2.2 p -75.16 163.4 68.18 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.98 7.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.11 -18.97 60.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.404 ' HG ' ' HG1' ' A' ' 67' ' ' THR . 38.4 m -91.71 -36.21 13.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.015 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 67' ' ' THR . 54.1 t -61.04 -39.3 81.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.45 -58.54 3.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 m -47.53 -51.43 20.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.974 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.754 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -59.01 -52.85 64.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.533 ' HE2' ' CD1' ' A' ' 19' ' ' TYR . 6.0 mtpm? -45.29 -48.08 13.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -55.02 -52.78 62.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.727 ' CB ' HG23 ' A' ' 40' ' ' ILE . 17.4 mt -54.0 -31.55 51.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.7 mt -74.87 -66.18 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -44.84 -49.24 10.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -41.77 -56.28 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.797 HG21 HG12 ' A' ' 29' ' ' ILE . 19.4 mt -47.61 -49.02 10.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.4 ' HA ' ' HE2' ' A' ' 25' ' ' MET . 59.9 t -63.31 -57.45 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.586 1.179 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -49.78 -43.34 48.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -39.5 93.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -113.31 59.24 0.39 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -43.93 7.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 0.766 . . . . 0.0 110.351 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -144.18 121.85 11.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.91 99.81 1.81 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 102.59 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.9 t 53.66 95.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.982 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.8 t -66.31 -57.08 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 p -117.41 88.58 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 0.742 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -106.58 150.07 26.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.62 98.75 0.98 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.439 1.087 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -62.39 120.27 10.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.779 . . . . 0.0 109.978 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -126.52 157.03 39.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.52 65.1 0.34 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -102.1 155.2 18.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.561 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -170.03 125.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 178.76 126.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -146.98 154.57 41.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -174.48 129.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.8 m 58.91 167.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.703 HG13 ' CA ' ' A' ' 66' ' ' GLY . 94.1 t -125.92 148.52 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.7 ptm -121.29 161.11 22.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.0 m -116.73 143.56 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.425 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 9.4 tp10 -136.14 145.98 46.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 11.3 tt0 -107.77 98.11 7.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.56 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 36.6 t80 -101.47 129.47 47.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -103.29 148.78 25.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.88 160.89 58.95 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.483 ' HG2' HG22 ' A' ' 82' ' ' VAL . 18.3 Cg_endo -75.04 121.45 6.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.773 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.531 ' HA ' HG12 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -52.86 -24.92 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.9 0.51 65.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.463 ' CG ' ' HG2' ' A' ' 22' ' ' PRO . 88.7 mmm -127.58 -40.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.838 HG21 ' HG2' ' A' ' 60' ' ' ARG . 10.9 p -43.23 -52.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.526 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.42 -30.94 4.63 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.677 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.3 t80 -94.26 -21.57 18.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.897 HG12 HG21 ' A' ' 81' ' ' ILE . 5.2 mt -64.99 -42.49 94.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 26' ' ' VAL . 1.3 mp -55.08 -64.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 33' ' ' GLY . . . 105.96 55.07 0.7 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.478 1.112 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.13 -77.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' GLY . . . -89.58 -24.43 30.78 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.525 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 114.94 36.45 1.24 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -94.86 -19.4 20.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.766 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -73.84 -34.9 64.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.752 HD12 HD12 ' A' ' 40' ' ' ILE . 10.7 tp -77.01 -47.76 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.405 ' N ' HG23 ' A' ' 37' ' ' ILE . 2.2 t -42.47 -53.35 4.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.011 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.41 -35.74 40.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.752 HD12 HD12 ' A' ' 37' ' ' ILE . 32.7 mt -72.92 -37.88 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.619 ' HG3' HD12 ' A' ' 48' ' ' ILE . 49.8 mt-30 -69.93 -34.62 73.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -84.64 -25.28 28.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -76.06 -43.47 43.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 1.052 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.5 OUTLIER -98.99 -2.42 37.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.046 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 49.43 35.6 21.74 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -121.66 156.01 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -86.64 143.97 27.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.619 HD12 ' HG3' ' A' ' 41' ' ' GLN . 24.9 mt -136.13 103.74 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.59 100.18 10.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.508 HG23 ' SG ' ' A' ' 62' ' ' CYS . 9.9 mt -95.61 131.05 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.998 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . -67.02 160.8 68.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -80.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.32 117.26 25.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.522 ' O ' HD12 ' A' ' 57' ' ' LEU . 41.0 t -70.63 -6.64 38.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.27 7.79 73.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.63 -0.62 65.41 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -48.93 160.0 0.52 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.21 11.2 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 111.037 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.56 139.33 46.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.998 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 7.0 tpm_? -85.41 111.88 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.238 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.404 ' N ' ' HE ' ' A' ' 60' ' ' ARG . 31.3 t -65.21 132.42 49.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.508 ' SG ' HG23 ' A' ' 50' ' ' ILE . 62.3 m -129.8 118.42 21.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 108.308 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.8 mtp -90.64 122.1 33.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.414 ' CD2' HG12 ' A' ' 48' ' ' ILE . 1.6 mp -103.11 152.55 21.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 50.5 m -144.25 125.52 14.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.441 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.703 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 144.95 -162.0 28.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.914 ' O ' HG23 ' A' ' 71' ' ' VAL . 28.0 p -63.33 162.14 27.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.428 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.85 4.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -70.24 -25.41 63.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 m -84.3 -37.32 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.993 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 67' ' ' THR . 87.5 t -60.71 -48.44 88.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.51 -50.97 69.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.1 m -51.18 -45.95 61.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.052 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -66.94 -40.42 87.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.583 ' HE2' HG12 ' A' ' 71' ' ' VAL . 28.4 mtmt -54.86 -43.66 73.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -58.59 -37.99 76.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.71 ' CB ' HG23 ' A' ' 40' ' ' ILE . 3.2 mt -70.1 -41.15 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.549 HD23 HD13 ' A' ' 40' ' ' ILE . 68.3 mt -70.11 -40.34 74.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -67.9 -46.1 72.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -55.15 11.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.897 HG21 HG12 ' A' ' 29' ' ' ILE . 70.3 mt -41.21 -57.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.483 HG22 ' HG2' ' A' ' 22' ' ' PRO . 75.8 t -48.52 -64.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -49.85 -52.29 33.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.87 -24.57 9.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -129.09 67.09 0.56 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -120.83 -44.16 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.778 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 53.9 m 57.59 160.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 110.022 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 174.11 -87.43 0.08 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.54 35.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 99.0 p -164.15 155.13 15.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 48.09 82.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.445 1.09 . . . . 0.0 110.028 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -153.19 88.2 1.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p -177.26 91.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.97 -113.75 0.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 p 179.2 132.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -96.92 149.4 21.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.98 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.29 134.25 11.68 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -124.62 167.81 14.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.442 0.731 . . . . 0.0 109.547 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 54.71 89.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.74 155.69 20.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -142.43 -172.7 3.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.6 ptt85 171.15 -51.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.0 m -51.19 163.79 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.987 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.622 HG13 ' CA ' ' A' ' 66' ' ' GLY . 72.3 t -129.78 147.69 33.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 ptm -126.67 161.37 28.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.5 m -111.99 141.6 45.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 6.0 tp10 -134.52 145.52 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 11.9 tt0 -107.89 98.73 8.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.543 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 12.1 t80 -103.92 129.55 51.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -101.84 140.93 35.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 3.1 m -134.25 160.05 69.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 117.71 5.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 111.028 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -53.78 -23.87 13.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.61 -9.78 78.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' PHE . 97.4 mmm -119.58 -35.74 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.58 ' O ' HD12 ' A' ' 30' ' ' ILE . 2.6 p -44.82 -49.66 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 30' ' ' ILE . . . -50.11 -29.71 15.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.14 . . . . 0.0 110.996 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.643 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -94.13 -23.86 17.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 111.002 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.614 HG22 ' CD1' ' A' ' 37' ' ' ILE . 4.1 mt -62.28 -43.51 98.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.604 HG22 ' HA2' ' A' ' 34' ' ' GLY . 1.2 mp -53.17 -58.57 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.64 169.08 21.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -40.48 -60.25 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 0.0 110.283 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.59 41.8 1.8 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.604 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 60.78 25.93 64.4 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -90.0 -27.24 19.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 110.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -60.59 -40.33 91.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.27 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.614 ' CD1' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -77.73 -38.8 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 t -51.47 -46.39 63.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.985 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -31.54 67.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.832 HD11 HD11 ' A' ' 81' ' ' ILE . 16.3 mt -79.74 -36.67 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.672 ' HG3' HD12 ' A' ' 48' ' ' ILE . 38.6 mt-30 -69.48 -31.63 70.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -86.72 -37.38 17.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -58.33 -55.28 37.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.733 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 87.3 p -86.62 -17.47 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.99 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.34 30.09 76.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -111.59 158.38 19.3 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -89.19 141.25 28.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.672 HD12 ' HG3' ' A' ' 41' ' ' GLN . 25.5 mt -133.68 102.66 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -103.12 99.96 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CG2' ' HG2' ' A' ' 60' ' ' ARG . 7.3 mt -95.21 125.42 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.935 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . -67.02 159.92 73.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -75.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.787 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.61 126.44 33.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.447 ' HA ' ' CZ ' ' A' ' 60' ' ' ARG . 3.0 p -86.14 46.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . . . 36.63 -96.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 54' ' ' SER . . . -150.52 24.2 1.07 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -93.84 153.65 40.97 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.41 10.05 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.791 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 1.1 mt-10 -111.15 144.03 40.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.935 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 4.4 tpm_? -91.55 119.77 31.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.8 t -70.59 129.43 39.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' A' ' 50' ' ' ILE . 61.6 m -123.55 112.45 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -81.38 115.24 20.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.432 HD11 ' CB ' ' A' ' 19' ' ' TYR . 1.9 mp -98.88 146.84 25.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.7 m -142.28 124.72 15.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.433 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.622 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 148.92 -162.24 28.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.927 ' O ' HG23 ' A' ' 71' ' ' VAL . 21.7 p -65.07 163.19 32.37 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.382 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -35.73 2.95 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -24.25 65.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.1 m -88.88 -29.79 19.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.927 HG23 ' O ' ' A' ' 67' ' ' THR . 60.2 t -66.22 -45.2 90.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -67.47 -51.48 50.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.44 -51.46 46.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.733 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.63 -52.4 65.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.543 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 6.9 mtpm? -47.77 -51.75 21.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.233 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -50.22 -44.85 53.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.599 ' CB ' HG23 ' A' ' 40' ' ' ILE . 10.6 mt -61.53 -55.85 26.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.419 HD23 HD13 ' A' ' 40' ' ' ILE . 97.2 mt -49.13 -63.16 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -45.51 -53.83 8.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.47 -59.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.832 HD11 HD11 ' A' ' 40' ' ' ILE . 97.6 mt -44.15 -62.07 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 79.5 t -45.74 -53.74 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.49 -59.3 5.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -48.11 25.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.59 -82.65 0.22 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.78 76.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.6 p -103.56 114.51 28.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.06 -145.0 0.88 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.04 41.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.56 1.821 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.9 t -52.92 102.22 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.973 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 m -150.33 77.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.77 161.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 0.729 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.1 p -177.83 110.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.84 147.54 11.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.72 136.27 37.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 109.974 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.5 p -110.86 108.83 18.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.66 -170.12 20.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.02 82.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.591 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -86.69 98.73 11.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.18 85.18 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.3 106.7 14.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -113.49 -60.82 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.9 p -173.22 163.75 4.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.47 HG13 ' CA ' ' A' ' 66' ' ' GLY . 33.0 t -94.84 146.77 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -128.23 166.59 18.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 m -125.99 122.35 35.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.473 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -122.86 162.09 22.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -121.88 97.9 5.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.53 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 37.6 t80 -102.45 129.29 48.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -102.35 139.89 37.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 2.5 m -131.36 160.46 67.06 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.95 5.45 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.462 1.769 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.485 ' HA ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -53.06 -23.4 7.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.18 -4.13 77.82 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' PHE . 99.0 mmm -124.29 -39.46 2.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.63 ' O ' HD12 ' A' ' 30' ' ' ILE . 9.8 p -43.34 -51.04 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.505 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -46.14 -31.62 4.55 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.542 1.152 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.743 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -93.33 -21.44 19.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 0.742 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.616 HG22 HD13 ' A' ' 37' ' ' ILE . 17.4 mt -64.71 -42.12 94.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.639 HG22 ' HA2' ' A' ' 34' ' ' GLY . 1.3 mp -56.93 -62.76 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 83.95 176.58 51.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.26 117.08 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 48.85 37.6 21.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.639 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 58.4 42.51 95.76 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -89.7 -33.44 16.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.769 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -59.94 -40.6 89.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.616 HD13 HG22 ' A' ' 29' ' ' ILE . 6.0 tp -75.98 -44.86 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 t -44.09 -46.8 8.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -35.45 74.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.648 HD11 HD11 ' A' ' 81' ' ' ILE . 34.6 mt -74.1 -36.31 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.608 ' HG3' HD12 ' A' ' 48' ' ' ILE . 38.8 mt-30 -70.77 -34.83 72.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -83.15 -37.49 23.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -55.57 -57.05 13.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.764 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 89.4 p -86.8 -19.16 29.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.12 22.12 78.94 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.435 1.084 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -103.68 157.65 16.92 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 9.4 ttpt -89.04 144.52 26.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.608 HD12 ' HG3' ' A' ' 41' ' ' GLN . 25.2 mt -136.53 105.59 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -102.12 100.25 10.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.646 HG23 ' SG ' ' A' ' 62' ' ' CYS . 6.0 mt -97.45 126.06 50.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.011 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . -65.86 159.36 70.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -81.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.78 121.03 26.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.524 ' O ' HD23 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -69.64 -25.45 63.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.024 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.73 20.93 52.7 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.547 1.155 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.6 20.12 60.6 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.524 HD23 ' O ' ' A' ' 54' ' ' SER . 4.3 mm? -77.15 155.83 82.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -29.44 8.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -129.95 139.02 51.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 1.011 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 6.2 tpm_? -85.41 115.77 23.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 t -67.67 134.06 50.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.646 ' SG ' HG23 ' A' ' 50' ' ' ILE . 74.1 m -132.28 120.95 22.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 108.325 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.1 mmm -91.92 119.35 31.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 1.4 mp -98.54 146.65 25.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.447 HG22 HG11 ' A' ' 14' ' ' VAL . 67.6 m -144.42 123.88 13.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 149.43 -164.44 29.38 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.8 p -58.35 162.5 5.98 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.387 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -42.97 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.437 1.756 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -14.2 61.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -91.8 -42.06 10.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.2 t -61.03 -37.25 76.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -49.27 43.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.239 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -57.24 -49.3 76.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.968 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.764 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -57.9 -50.78 72.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.53 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 3.9 mtpm? -47.43 -51.81 18.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -51.04 -43.74 60.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.475 ' CB ' HG23 ' A' ' 40' ' ' ILE . 45.3 mt -64.08 -44.3 92.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.577 HD23 HD13 ' A' ' 40' ' ' ILE . 84.7 mt -61.4 -61.79 2.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' GLN . 4.1 t0 -46.87 -54.95 8.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -38.6 -61.87 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.743 HG23 ' CE2' ' A' ' 28' ' ' PHE . 42.6 mt -40.53 -56.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.448 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 97.1 t -52.72 -57.44 4.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -51.6 -52.75 44.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -24.19 32.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -125.08 54.0 0.76 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.493 1.12 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -106.24 79.14 1.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 110.251 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.6 t -150.33 -65.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 173.11 -151.2 13.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 95.88 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.33 165.96 12.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.47 135.87 47.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -179.1 119.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 0.749 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 p -144.5 97.59 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.11 134.79 5.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -178.79 150.67 0.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -158.24 159.66 36.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.93 -173.17 24.2 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -122.09 167.44 13.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.76 . . . . 0.0 109.588 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -160.52 130.1 5.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.26 123.34 28.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.256 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -143.58 104.25 4.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -179.42 162.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.96 155.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.033 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.607 HG13 ' N ' ' A' ' 66' ' ' GLY . 87.6 t -134.46 145.21 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.62 ' SD ' HG21 ' A' ' 71' ' ' VAL . 3.6 ppp? -140.86 161.98 36.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.5 m -116.13 125.57 52.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -122.72 169.36 11.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -122.34 101.01 7.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -109.93 112.95 25.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.87 144.71 26.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 4.2 m -136.85 159.77 68.9 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 115.91 4.43 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -51.79 -27.19 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.243 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.82 -8.56 57.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.462 1.101 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 28' ' ' PHE . 99.1 mmm -121.47 -38.15 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.586 ' O ' HD12 ' A' ' 30' ' ' ILE . 1.4 p -44.09 -49.75 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.492 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -48.48 -30.72 8.57 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.431 1.082 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.717 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -94.28 -21.8 18.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.962 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.8 HG12 HG21 ' A' ' 81' ' ' ILE . 5.1 mt -64.89 -41.38 92.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.712 HG22 ' HA2' ' A' ' 34' ' ' GLY . 1.2 mp -56.52 -61.82 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.37 175.86 49.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.59 115.1 1.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 56.54 27.88 55.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.712 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 64.46 43.3 96.89 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -90.65 -33.97 15.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -58.36 -37.35 75.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.623 HD13 HG22 ' A' ' 29' ' ' ILE . 7.7 tp -79.68 -43.34 23.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -44.13 -46.73 8.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -35.95 77.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.754 HD11 HD11 ' A' ' 81' ' ' ILE . 35.4 mt -73.48 -36.58 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.632 ' HG3' HD12 ' A' ' 48' ' ' ILE . 62.4 mt-30 -70.55 -35.17 72.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -83.7 -37.38 22.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -55.55 -56.55 18.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 110.315 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.881 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 89.3 p -87.45 -19.11 28.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.67 26.25 73.37 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -109.7 155.38 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 64' ' ' LEU . 1.1 tttt -87.36 144.84 26.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.632 HD12 ' HG3' ' A' ' 41' ' ' GLN . 17.5 mt -135.97 105.55 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -104.11 99.89 9.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.805 HG23 ' SG ' ' A' ' 62' ' ' CYS . 6.3 mt -97.05 127.88 48.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.939 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . . . -69.84 160.67 79.15 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -42.12 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.479 1.778 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' O ' ' NH1' ' A' ' 60' ' ' ARG . 2.3 t0 -124.58 152.57 43.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.545 ' O ' HD23 ' A' ' 57' ' ' LEU . 4.6 p -116.93 24.4 11.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.3 11.09 38.38 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.59 16.51 48.82 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 54' ' ' SER . 3.9 mm? -71.7 155.27 92.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -8.87 20.51 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 9.9 mp0 -140.57 133.96 29.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.244 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.939 ' CZ ' ' HB3' ' A' ' 51' ' ' ALA . 1.6 tpt180 -86.65 127.84 34.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.449 ' O ' ' NE ' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -79.13 112.29 16.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.805 ' SG ' HG23 ' A' ' 50' ' ' ILE . 62.4 m -109.26 123.56 49.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 108.289 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.5 mtp -93.93 127.38 39.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 2.0 mp -107.22 149.53 27.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 49.7 m -144.49 125.49 14.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 110.412 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.607 ' N ' HG13 ' A' ' 14' ' ' VAL . . . 148.79 -161.71 28.74 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.951 ' O ' HG23 ' A' ' 71' ' ' VAL . 43.3 p -61.15 161.86 15.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.74 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -39.93 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -17.76 64.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.9 m -89.05 -38.7 14.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.951 HG23 ' O ' ' A' ' 67' ' ' THR . 58.4 t -58.87 -45.44 91.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -67.48 -49.06 65.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.66 -50.92 62.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.881 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -62.15 -42.09 98.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -52.28 -50.77 61.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -53.36 -43.54 67.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.513 ' CB ' HG23 ' A' ' 40' ' ' ILE . 17.7 mt -63.36 -51.62 65.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.427 HD23 HD13 ' A' ' 40' ' ' ILE . 88.1 mt -53.5 -68.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.75 -46.86 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.66 -61.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.8 HG21 HG12 ' A' ' 29' ' ' ILE . 57.1 mt -41.45 -58.73 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.405 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 52.9 t -48.07 -59.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -52.84 -55.48 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 110.278 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -26.41 15.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -122.47 62.2 0.55 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.15 80.66 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 110.259 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.0 p -155.16 158.6 39.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.982 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 167.39 -124.48 1.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.45 3.8 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.87 -57.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.79 125.12 25.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -134.33 111.71 10.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 109.968 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 m -133.11 137.59 46.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.002 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.52 155.37 7.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.33 171.43 4.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 0.759 . . . . 0.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -176.06 150.4 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.026 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.83 102.35 0.82 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -134.25 150.52 51.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 109.637 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -122.98 -72.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.46 162.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 53.08 101.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -156.14 117.68 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 m -68.45 171.03 7.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.9 t -121.09 146.07 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.4 ptm -126.04 162.09 26.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.5 m -119.16 132.56 55.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 8.8 tp10 -129.6 146.48 51.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 13.9 tt0 -105.96 99.08 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.457 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 22.6 t80 -104.07 119.89 39.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.95 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -94.78 130.04 41.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -122.25 163.12 33.96 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.32 3.53 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.767 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.91 -32.48 20.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.63 -10.63 45.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' PHE . 98.8 mmm -120.0 -38.66 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.753 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 27' ' ' GLY . 1.0 OUTLIER -43.31 -49.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.542 ' HA2' HD12 ' A' ' 30' ' ' ILE . . . -48.5 -32.89 10.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.567 ' CE2' HG23 ' A' ' 81' ' ' ILE . 1.4 t80 -91.27 -21.55 21.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.57 HG22 HD13 ' A' ' 37' ' ' ILE . 4.8 mt -67.29 -31.24 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.57 HG22 ' HA2' ' A' ' 34' ' ' GLY . 2.8 mt -62.31 -59.41 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.09 -175.84 32.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.57 95.3 1.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.84 16.46 65.47 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.57 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 74.53 39.76 40.84 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -93.2 -26.89 17.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 0.745 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -66.31 -32.17 73.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.57 HD13 HG22 ' A' ' 29' ' ' ILE . 7.6 tp -83.68 -44.99 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.36 -50.1 6.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.89 -35.22 68.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.671 HD11 ' CD1' ' A' ' 81' ' ' ILE . 51.1 mt -72.99 -38.97 57.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.445 ' HG3' HD12 ' A' ' 48' ' ' ILE . 55.7 mt-30 -70.28 -32.73 70.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -84.61 -33.71 23.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.75 -54.5 44.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.249 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.779 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 78.0 p -89.3 -16.53 30.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 71.09 20.66 78.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.37 156.2 18.76 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.19 145.37 25.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.445 HD12 ' HG3' ' A' ' 41' ' ' GLN . 21.9 mt -135.56 105.15 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -101.54 101.21 11.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.491 HG23 ' SG ' ' A' ' 62' ' ' CYS . 8.5 mt -99.84 124.28 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.785 ' HB3' ' NE ' ' A' ' 60' ' ' ARG . . . -66.15 152.45 93.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -62.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -91.04 109.09 20.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 p -87.47 12.51 12.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.48 10.58 43.79 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.45 -4.14 82.58 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.64 165.3 0.13 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -27.13 10.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.781 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' VAL . 2.5 mp0 -138.33 127.83 24.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.785 ' NE ' ' HB3' ' A' ' 51' ' ' ALA . 1.6 tpt180 -85.28 134.61 34.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.448 ' O ' ' NE ' ' A' ' 60' ' ' ARG . 3.0 t -77.09 128.48 34.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.491 ' SG ' HG23 ' A' ' 50' ' ' ILE . 58.5 m -122.7 107.26 11.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 108.315 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 97.6 mmm -78.99 116.61 19.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mp -96.37 151.97 19.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 62.5 m -144.35 128.92 18.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.406 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.66 -168.72 25.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.6 p -54.31 161.9 1.81 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.766 . . . . 0.0 110.402 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -37.03 2.21 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -21.52 62.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 m -83.36 -39.93 20.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 75' ' ' LYS . 12.3 t -60.41 -42.97 92.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.41 -53.04 48.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.1 m -53.29 -50.17 65.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.968 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.779 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.12 -47.34 83.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.457 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 13.9 mtpt -49.52 -56.11 11.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -47.21 -47.64 24.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -57.21 -41.78 80.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.588 HD23 HD13 ' A' ' 40' ' ' ILE . 66.1 mt -64.75 -68.36 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -43.08 -29.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -62.41 -66.07 0.59 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.671 ' CD1' HD11 ' A' ' 40' ' ' ILE . 75.1 mt -42.19 -47.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.4 t -58.77 -57.19 12.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -49.15 71.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.335 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -46.65 -34.66 5.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -126.23 65.05 0.57 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.34 72.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 0.801 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 m -85.91 -65.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.78 -172.78 22.93 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 91.05 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.467 1.772 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.3 t -105.16 143.45 33.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.33 103.92 5.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -171.92 -58.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 0.764 . . . . 0.0 109.956 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -114.69 167.03 11.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.04 -121.2 2.47 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.51 90.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -172.6 142.04 1.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.84 124.6 0.72 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.45 117.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 109.619 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -146.6 173.39 12.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -137.7 159.24 42.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -154.46 105.07 2.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.53 176.3 5.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 m 60.72 167.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.03 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.739 HG13 ' CA ' ' A' ' 66' ' ' GLY . 89.2 t -137.2 151.16 26.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ptm -131.12 160.77 33.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.96 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.2 m -111.82 154.03 25.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 18' ' ' GLU . 8.7 tt0 -151.22 138.37 19.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 29.0 tt0 -97.67 97.75 9.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 75' ' ' LYS . 67.2 t80 -99.74 122.55 42.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.446 ' O ' HG13 ' A' ' 21' ' ' VAL . 9.8 mmtp -89.61 155.05 19.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -153.59 162.57 26.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.402 ' HG3' HG11 ' A' ' 82' ' ' VAL . 18.3 Cg_endo -74.98 117.82 5.05 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.76 -18.94 24.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.51 -6.61 86.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.157 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.466 ' O ' ' N ' ' A' ' 28' ' ' PHE . 95.4 mmm -123.64 -41.68 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 0.751 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.585 HG21 ' HG2' ' A' ' 60' ' ' ARG . 2.2 p -42.32 -50.17 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.491 ' N ' ' CG1' ' A' ' 26' ' ' VAL . . . -49.09 -34.53 16.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.645 ' CE2' HG23 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -87.01 -25.11 24.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 111.0 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.781 HG12 HG21 ' A' ' 81' ' ' ILE . 3.8 mt -66.09 -25.97 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.618 HG22 ' HA2' ' A' ' 34' ' ' GLY . 55.3 mt -61.83 -60.36 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.42 165.49 21.05 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.412 1.07 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -41.2 -53.73 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.91 41.44 1.79 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.448 1.092 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.618 ' HA2' HG22 ' A' ' 30' ' ' ILE . . . 58.27 23.42 53.12 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -86.15 -34.24 20.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.272 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.411 HE21 HD11 ' A' ' 81' ' ' ILE . 12.3 tp60 -48.67 -46.16 39.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.597 HD12 HD12 ' A' ' 40' ' ' ILE . 10.0 tp -69.46 -48.15 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.249 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.5 t -43.59 -50.24 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.003 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -35.53 61.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.597 HD12 HD12 ' A' ' 37' ' ' ILE . 38.8 mt -72.78 -36.41 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.754 ' CG ' HD12 ' A' ' 48' ' ' ILE . 72.1 mt-30 -70.68 -37.14 73.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -80.76 -29.59 36.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -70.08 -48.65 56.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.985 ' OG ' ' HB2' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -92.55 -6.26 50.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.016 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.2 34.75 59.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -121.51 154.03 37.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -82.9 144.24 30.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.754 HD12 ' CG ' ' A' ' 41' ' ' GLN . 46.4 mt -137.18 102.89 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -103.43 100.13 9.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.75 HG23 ' SG ' ' A' ' 62' ' ' CYS . 3.4 mt -99.35 135.28 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.812 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . . . -65.78 154.71 88.28 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -52.04 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.06 111.24 20.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 60' ' ' ARG . 69.9 p -50.46 -28.46 8.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.8 -75.78 0.82 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.26 33.6 0.11 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -105.12 154.57 38.7 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -30.0 7.7 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -120.53 137.82 54.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.257 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.812 ' NH1' ' HB3' ' A' ' 51' ' ' ALA . 3.0 tpm_? -86.05 135.08 33.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 32.2 t -89.55 127.76 35.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.75 ' SG ' HG23 ' A' ' 50' ' ' ILE . 60.7 m -123.78 106.77 10.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 6.5 mtp -75.13 114.41 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.554 HD23 HG12 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -98.4 146.1 26.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.3 m -144.46 125.48 14.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.739 ' CA ' HG13 ' A' ' 14' ' ' VAL . . . 149.72 -162.09 29.01 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 71' ' ' VAL . 17.5 p -57.8 161.99 5.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.411 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.89 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -25.29 64.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.4 m -80.89 -35.1 32.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 67' ' ' THR . 51.2 t -60.88 -39.28 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -49.74 18.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.9 m -50.38 -52.39 37.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.042 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.985 ' HB2' ' OG ' ' A' ' 44' ' ' SER . . . -58.27 -49.52 76.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.567 ' HG2' ' CD1' ' A' ' 19' ' ' TYR . 1.7 mtpm? -48.04 -51.17 25.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.4 mmm-85 -51.57 -37.53 50.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.589 ' CB ' HG23 ' A' ' 40' ' ' ILE . 21.2 mt -70.72 -47.71 58.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.587 HD23 HD13 ' A' ' 40' ' ' ILE . 94.7 mt -58.25 -65.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -45.5 -48.76 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.59 -60.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.781 HG21 HG12 ' A' ' 29' ' ' ILE . 27.2 mt -46.57 -47.66 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.402 HG11 ' HG3' ' A' ' 22' ' ' PRO . 64.4 t -63.45 -58.76 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.76 -43.14 47.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -49.36 77.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -111.71 67.84 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -92.02 83.24 5.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.14 143.95 51.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.977 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.66 92.7 0.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -46.63 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.6 p -50.81 161.66 0.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.7 m 61.49 167.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.971 . . . . . . . . 0 0 . 1 stop_ save_