data_1ug7_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 1ug7 _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 ' 12' ' ' THR . . . . . 0.558 ' CG2' ' CZ ' ' A' ' 62' ' ' PHE . 13.6 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -35.47 70.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 t -67.85 -27.48 66.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.567 HD11 ' CZ2' ' A' ' 19' ' ' TRP . 2.8 mt -68.49 -64.68 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.7 mt -41.23 -28.72 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' N ' ' C ' ' A' ' 15' ' ' LEU . 2.6 mm-40 -73.31 -68.9 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -51.96 -33.39 37.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.567 ' CZ2' HD11 ' A' ' 15' ' ' LEU . 6.5 m0 -67.87 -64.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.36 -22.05 9.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.08 -28.11 54.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -58.96 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 102' ' ' GLU . 50.7 tp -52.65 -55.78 20.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.11 -47.32 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.475 ' CG ' ' OD2' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -73.25 -55.43 6.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -37.97 -29.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . -83.2 -50.21 8.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 0.741 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.475 ' OD2' ' CG ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -40.26 -42.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -62.53 -54.3 41.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.51 -65.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.2 -64.29 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.416 ' CZ3' ' OD1' ' A' ' 28' ' ' ASP . 13.1 m0 -51.35 -74.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.3 43.26 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.403 ' NE2' ' OE1' ' A' ' 37' ' ' GLU . 8.4 mm100 -117.24 63.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 mt -54.12 -53.78 48.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.7 t -44.88 -69.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' OE1' ' NE2' ' A' ' 34' ' ' GLN . 3.6 mt-10 -49.9 -43.8 49.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.97 -64.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.5 mt -40.88 -59.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.09 -61.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -45.32 -60.41 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.521 ' CZ ' HD22 ' A' ' 98' ' ' LEU . 18.0 m-85 -50.89 -60.93 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -48.5 -64.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.603 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.1 mp -42.04 -54.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.6 tp -58.59 -41.65 86.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' CB ' HD12 ' A' ' 77' ' ' LEU . . . -60.47 -52.11 66.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -44.62 57.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 10.2 m170 -61.74 -47.67 84.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.595 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.47 HD21 ' CG2' ' A' ' 70' ' ' ILE . 17.0 mt -48.07 -40.15 22.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.483 ' NE2' ' CB ' ' A' ' 74' ' ' ALA . 20.5 mm-40 -72.39 -51.51 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -29.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 50' ' ' GLN . 17.9 mm-40 -94.93 -34.32 12.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -70.61 -64.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.558 ' CZ ' ' CG2' ' A' ' 12' ' ' THR . 26.7 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.521 0.201 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 64' ' ' GLU . 8.2 t -65.2 -165.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.492 ' N ' ' OG1' ' A' ' 63' ' ' THR . 5.0 mt-10 -85.95 -38.21 18.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 66' ' ' GLN . 1.4 pt-20 -68.3 -25.16 64.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.436 ' CG ' HG22 ' A' ' 63' ' ' THR . 65.9 mt-30 -79.72 -68.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -39.9 -41.95 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mmpp? -42.64 -64.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.628 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.9 m -55.85 -49.82 72.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.47 ' CG2' HD21 ' A' ' 49' ' ' LEU . 60.7 mt -49.55 -52.12 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.92 -16.74 59.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' THR . 19.6 mttt -90.65 -55.63 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.471 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 63.1 mt -37.53 -42.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.37 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.483 ' CB ' ' NE2' ' A' ' 50' ' ' GLN . . . -54.22 -56.11 21.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' LYS . 23.3 m -37.66 -58.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.458 ' HB3' ' CE2' ' A' ' 93' ' ' PHE . 84.9 m -47.72 -53.24 15.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.296 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.473 HD12 ' CB ' ' A' ' 46' ' ' ALA . 13.9 mt -46.87 -58.78 3.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -42.78 -27.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.475 HD12 ' CD1' ' A' ' 93' ' ' PHE . 29.1 mt -81.09 -50.73 9.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.436 ' HG2' ' CE2' ' A' ' 42' ' ' TYR . 15.0 tpt85 -53.84 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.4 m -44.78 -52.41 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.0 -50.2 74.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.61 -40.32 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.6 mt -67.42 -53.84 25.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -57.23 -50.68 72.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.475 ' CD1' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.472 0.177 . . . . 0.0 111.061 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.469 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -106.4 -169.72 1.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 98' ' ' LEU . 2.6 mt -77.99 -56.56 4.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 9.1 pt-20 -47.85 -46.19 30.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -64.28 -26.99 68.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.521 HD22 ' CZ ' ' A' ' 42' ' ' TYR . 1.5 tp -81.18 -49.86 10.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -13.54 32.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -67.82 -9.46 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.244 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.6 mt -99.67 -19.38 16.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.502 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -47.51 -51.26 45.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.02 -49.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' PRO . 16.2 mt -40.13 -63.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.473 ' HA ' ' CG1' ' A' ' 108' ' ' ILE . 0.6 OUTLIER -39.69 -50.55 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -47.19 78.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -87.34 40.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.473 ' CG1' ' HA ' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -73.94 -45.34 49.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.29 -39.85 94.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.2 t -98.96 47.74 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.4 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.63 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 67.0 t80 -110.59 107.18 16.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 113' ' ' LYS . 1.2 t30 -88.64 48.94 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.63 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 4.4 mptp? 44.17 -168.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 2.7 tt0 84.36 51.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.605 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -52.76 139.91 40.17 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.04 2.54 6.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.434 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 55.3 m-85 -135.71 165.18 26.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 111.062 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -98.53 86.42 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 15.6 m -135.9 120.37 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.21 151.46 83.63 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.38 4.89 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.545 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 3.7 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -45.49 -45.12 13.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -56.34 -33.08 65.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.576 HD21 ' CH2' ' A' ' 19' ' ' TRP . 7.0 tp -68.69 -70.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.4 mt -40.05 -29.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' LEU . 2.8 mt-30 -79.45 -65.72 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.442 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -47.91 -32.65 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.635 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 5.7 m0 -69.5 -63.5 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.5 -22.9 4.15 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.42 -32.36 68.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.747 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m -68.47 -65.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.495 ' CD1' ' CD1' ' A' ' 98' ' ' LEU . 22.3 tp -46.24 -54.94 7.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.63 -55.36 7.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -61.18 -50.48 72.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.59 -29.0 2.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.03 -48.72 12.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.53 -43.11 35.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -65.31 -50.97 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.3 OUTLIER -53.49 -61.49 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' ASP . 1.0 OUTLIER -38.2 -69.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -48.03 -70.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 108.012 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.49 43.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.118 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -113.88 72.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 110.347 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 mt -62.19 -53.75 50.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -46.21 -66.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.15 -42.42 69.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.72 -57.27 12.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.2 mt -45.8 -64.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.26 -52.54 12.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -47.98 -54.66 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.432 ' O ' ' CD1' ' A' ' 77' ' ' LEU . 19.1 m-85 -62.94 -49.31 75.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' ALA . 69.8 mt-30 -53.28 -61.58 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.529 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.1 mp -40.65 -60.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.635 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 25.1 tp -53.53 -40.58 65.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.464 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -60.75 -50.89 71.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.88 -42.84 76.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 10.1 m170 -62.86 -47.98 81.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.7 mt -49.99 -46.56 52.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' ALA . 46.3 mt-30 -57.15 -53.18 61.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.19 -27.81 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 50' ' ' GLN . 36.0 mm-40 -94.93 -34.71 12.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -69.47 -50.58 44.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.545 ' CZ ' HG22 ' A' ' 12' ' ' THR . 59.7 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.49 0.186 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 t -99.03 161.05 13.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -43.26 -54.87 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.435 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 32.3 mt-10 -45.24 -51.09 11.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.99 -68.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -46.43 -32.89 3.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' CG ' ' HE2' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -60.88 -56.71 17.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.56 -45.87 81.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.5 mt -41.22 -39.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.04 -59.76 7.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 0.9 OUTLIER -40.87 -43.57 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.474 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 35.0 mt -52.35 -55.94 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -52.71 -55.11 25.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.419 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 1.1 m -38.7 -52.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.602 ' SG ' ' CZ ' ' A' ' 93' ' ' PHE . 94.1 m -54.02 -55.93 22.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 108.237 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.464 HD11 ' CB ' ' A' ' 46' ' ' ALA . 8.0 mt -38.23 -62.34 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -39.64 -44.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -65.54 -52.34 53.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -53.23 -56.54 15.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.7 m -49.38 -62.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' ALA . . . -51.73 -50.21 61.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' ALA . . . -39.96 -38.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 mt -70.86 -53.0 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -53.78 -39.58 65.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.602 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.498 0.19 . . . . 0.0 110.98 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 -169.13 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.409 ' CD2' HD23 ' A' ' 98' ' ' LEU . 1.8 mt -80.87 -51.92 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.49 -52.86 43.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 37.4 m-20 -61.25 -24.28 66.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.495 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 1.8 tp -79.9 -49.98 11.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.252 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -16.39 38.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -72.59 -7.02 48.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.8 mt -97.53 -4.73 37.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -68.67 -51.18 22.28 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.04 -31.52 6.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.18 -45.05 93.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.474 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 0.4 OUTLIER -67.84 -33.28 74.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -52.95 15.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 111' ' ' TYR . 44.7 m-80 -92.41 26.14 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -44.9 -45.03 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.82 -55.88 9.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.447 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 3.2 t -91.74 46.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.492 ' CB ' ' O ' ' A' ' 107' ' ' ASN . 0.1 OUTLIER -113.55 129.47 56.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -70.1 129.88 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.435 ' CE ' ' HA ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -63.66 -174.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 70.8 70.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.552 ' CD2' ' CG2' ' A' ' 119' ' ' VAL . 0.3 OUTLIER -37.26 147.14 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.543 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.5 Cg_endo -74.95 -35.0 3.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 97' ' ' ASP . 20.0 m-85 -98.57 151.39 20.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.51 92.82 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.552 ' CG2' ' CD2' ' A' ' 115' ' ' PHE . 4.0 m -147.67 127.84 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.4 160.08 40.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.08 23.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.419 ' CD1' ' OG1' ' A' ' 75' ' ' THR . 3.5 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.619 ' CG2' ' CZ ' ' A' ' 62' ' ' PHE . 2.6 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -51.79 -50.27 61.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.406 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -63.35 -32.86 74.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.509 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -50.75 -42.32 57.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.7 mt -52.89 -22.92 6.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' ARG . 26.0 mm-40 -83.23 -73.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.509 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -36.58 -47.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.407 ' CZ2' HD11 ' A' ' 15' ' ' LEU . 11.0 m0 -57.63 -67.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 108.033 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.37 -35.36 20.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.22 90.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -63.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' CD1' ' HG ' ' A' ' 98' ' ' LEU . 49.9 tp -47.39 -58.15 4.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.85 -59.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -58.21 -47.6 82.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.61 -34.11 13.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.37 -42.17 37.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.45 0.736 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -47.58 69.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 48.6 m-85 -60.98 -54.95 38.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.72 -58.5 5.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.23 -65.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -53.05 -66.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.008 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.22 45.82 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -114.96 66.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 mt -52.96 -61.29 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.2 p -40.76 -71.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.598 ' OE1' ' CZ ' ' A' ' 29' ' ' PHE . 1.5 mt-10 -48.33 -46.19 36.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.8 -64.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.0 mt -41.16 -54.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -45.78 -54.53 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -50.74 -69.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.517 ' CZ ' HD22 ' A' ' 98' ' ' LEU . 21.1 m-85 -43.95 -66.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' ALA . 37.2 mt-30 -39.72 -65.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.433 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.1 mp -41.42 -56.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.8 tp -56.33 -40.32 74.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.46 ' CA ' HD11 ' A' ' 77' ' ' LEU . . . -57.83 -50.05 74.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -58.68 -48.55 80.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 11.9 m170 -53.45 -53.37 52.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.57 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD13 ' CG2' ' A' ' 73' ' ' ILE . 60.8 mt -42.2 -48.03 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 53' ' ' ALA . 37.1 mt-30 -58.07 -47.73 82.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -40.15 -31.9 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 50' ' ' GLN . 72.4 mm-40 -95.91 -35.98 11.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -68.73 -66.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.28 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.619 ' CZ ' ' CG2' ' A' ' 12' ' ' THR . 67.8 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.476 0.179 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.7 t -98.23 164.37 12.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.12 -56.28 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -44.83 -61.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.418 ' CG ' HG21 ' A' ' 108' ' ' ILE . 1.3 mp0 -51.17 -56.65 11.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -47.92 -54.68 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -41.96 -62.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.509 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 0.9 OUTLIER -56.67 -54.96 40.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.8 mt -39.6 -44.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.89 -43.66 49.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 69' ' ' THR . 14.7 mttt -57.82 -31.74 66.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.482 ' CG2' HD13 ' A' ' 49' ' ' LEU . 50.4 mt -64.19 -50.54 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.64 -46.31 73.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.483 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 2.1 m -46.2 -52.69 11.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.37 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 93' ' ' PHE . 69.8 m -53.99 -51.34 64.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 108.256 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.46 HD11 ' CA ' ' A' ' 46' ' ' ALA . 14.9 mt -45.69 -58.97 3.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -43.31 -29.67 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.87 -54.12 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -52.07 -58.74 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.4 m -51.36 -50.84 58.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.91 -48.24 82.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.79 -51.16 7.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 23.3 mt -53.61 -48.77 68.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -60.36 -40.29 90.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.595 ' CZ ' ' CG ' ' A' ' 97' ' ' ASP . 1.3 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.468 0.175 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.437 ' CD ' ' CG ' ' A' ' 96' ' ' GLU . 1.5 ptpt -110.64 -169.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.429 ' CD2' HD23 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -83.85 -50.54 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.437 ' CG ' ' CD ' ' A' ' 94' ' ' LYS . 10.5 pt-20 -47.93 -52.95 17.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.615 ' OD1' ' CE2' ' A' ' 117' ' ' PHE . 20.4 t0 -55.43 -37.57 67.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.517 HD22 ' CZ ' ' A' ' 42' ' ' TYR . 3.2 tp -69.22 -61.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -20.19 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -68.46 -10.99 59.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 50.7 mt -97.28 -7.96 30.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.537 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -63.61 -49.76 75.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.03 -41.72 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 108' ' ' ILE . 7.5 mt -51.84 -46.11 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.479 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 0.4 OUTLIER -59.35 -33.53 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -78.82 -40.58 32.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -89.35 16.35 7.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.4 OUTLIER -50.32 -50.74 20.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.7 mt -57.68 -53.69 55.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.5 t -86.65 44.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.621 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 50.3 t80 -105.34 115.0 29.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 113' ' ' LYS . 34.0 m120 -88.74 44.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.621 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 4.2 mttt 44.32 -166.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 73.45 76.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.401 ' CE2' HG22 ' A' ' 119' ' ' VAL . 0.9 OUTLIER -58.86 146.01 77.26 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.07 19.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.615 ' CE2' ' OD1' ' A' ' 97' ' ' ASP . 70.1 m-85 -120.88 177.7 5.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -106.18 94.29 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.453 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 18.8 m -139.0 131.96 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.88 145.1 73.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.74 34.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.483 ' CD1' ' OG1' ' A' ' 75' ' ' THR . 4.7 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -46.96 -42.25 17.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -36.66 50.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.557 HD21 ' CH2' ' A' ' 19' ' ' TRP . 8.5 tp -67.42 -66.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.461 HD23 ' CG2' ' A' ' 108' ' ' ILE . 72.9 mt -42.3 -28.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' N ' ' C ' ' A' ' 15' ' ' LEU . 21.7 mm-40 -80.5 -68.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.495 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -44.55 -34.75 2.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.557 ' CH2' HD21 ' A' ' 15' ' ' LEU . 4.6 m0 -64.91 -60.98 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 108.011 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.67 -35.35 62.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.71 73.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.8 m -66.81 -62.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.3 tp -49.5 -58.48 5.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.425 ' NE ' ' OE2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -42.88 -60.93 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -53.5 -34.0 56.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.5 -30.68 78.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.82 -28.34 55.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -49.1 77.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CE1' ' OE1' ' A' ' 37' ' ' GLU . 27.9 m-85 -61.35 -52.37 64.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -45.31 -61.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.64 -72.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 3.2 m0 -48.53 -72.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 107.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 152.41 43.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.49 ' CB ' ' HB3' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -108.5 49.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.323 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mt -42.52 -52.2 4.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -40.68 -72.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.604 ' OE1' ' CE1' ' A' ' 29' ' ' PHE . 12.5 mt-10 -51.11 -40.65 58.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.37 -54.78 31.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.2 mt -54.69 -47.35 73.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.482 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -55.16 -56.2 22.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -49.76 -66.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.514 ' CZ ' HD22 ' A' ' 98' ' ' LEU . 21.5 m-85 -45.21 -64.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 46' ' ' ALA . 62.7 mt-30 -41.74 -64.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -41.36 -62.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.536 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 14.8 tp -51.14 -39.16 55.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.472 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -58.79 -48.93 79.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -58.51 -46.92 85.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.445 ' CD2' HG21 ' A' ' 44' ' ' ILE . 92.4 m-70 -55.33 -54.61 41.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.476 ' CD1' HG23 ' A' ' 73' ' ' ILE . 49.0 mt -40.63 -42.13 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' ALA . 71.0 mt-30 -63.15 -51.29 67.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.87 -31.41 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 50' ' ' GLN . 8.7 mm-40 -96.02 -34.52 11.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -68.48 -58.97 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 50' ' ' GLN . 7.3 pt20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.473 0.178 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.8 t -86.19 165.35 16.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -47.23 -44.13 22.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 68' ' ' LYS . 49.0 mt-10 -59.26 -66.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -38.19 -62.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.345 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -51.96 -40.7 61.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -45.15 -48.82 12.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER -68.81 -46.68 68.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.354 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.433 ' CG2' ' O ' ' A' ' 49' ' ' LEU . 18.3 mt -39.32 -50.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.18 -49.42 46.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -49.51 -34.49 17.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 49' ' ' LEU . 77.0 mt -63.64 -54.91 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.63 -49.39 19.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.1 m -46.25 -54.42 8.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 93.1 m -52.12 -52.03 54.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 46' ' ' ALA . 11.0 mt -44.63 -61.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -40.58 -32.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.7 mt -74.76 -56.8 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.408 ' NH2' HD21 ' A' ' 84' ' ' LEU . 23.1 tpt180 -50.18 -66.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -40.22 -58.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 85' ' ' GLN . . . -55.18 -52.47 63.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -40.77 -35.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.408 HD21 ' NH2' ' A' ' 80' ' ' ARG . 22.7 mt -73.11 -51.11 19.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 82' ' ' ALA . 11.9 mt-30 -59.72 -53.04 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.581 ' CZ ' ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.526 0.203 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.467 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -107.08 -170.15 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.413 ' CD1' HD23 ' A' ' 98' ' ' LEU . 24.2 tp -79.11 -54.28 6.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.467 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 10.1 pt-20 -49.79 -44.08 48.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.46 ' HB3' ' CE1' ' A' ' 117' ' ' PHE . 74.7 m-20 -66.15 -26.24 67.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.514 HD22 ' CZ ' ' A' ' 42' ' ' TYR . 1.8 tp -78.08 -46.65 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -13.1 47.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -70.52 -7.43 43.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 60.6 mt -102.67 -7.07 22.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -63.05 -50.31 77.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -74.96 -35.55 3.11 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 64.6 mt -57.14 -44.28 83.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.411 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 4.5 mt -71.77 -35.34 70.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -67.25 -53.58 28.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 111' ' ' TYR . 32.0 m-80 -92.02 31.34 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.461 ' CG2' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -48.39 -42.65 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.43 -48.73 71.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 t -109.2 55.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.531 ' CE1' ' HA ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -107.08 140.19 40.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -73.12 118.12 15.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.531 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -63.45 -167.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.8 tt0 84.68 -45.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.4 OUTLIER 65.71 137.55 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.01 -46.1 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.581 ' CE1' ' CZ ' ' A' ' 93' ' ' PHE . 94.0 m-85 -77.67 135.82 38.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -74.06 66.46 1.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.8 m -121.27 141.57 41.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -98.84 167.55 11.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.83 14.79 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.5 ' CG2' ' CZ ' ' A' ' 62' ' ' PHE . 67.7 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.18 -36.43 63.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m -72.81 -26.57 61.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.565 HD12 ' CZ2' ' A' ' 19' ' ' TRP . 4.3 mt -71.29 -62.64 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 109' ' ' LEU . 33.3 mt -43.95 -27.08 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' A' ' 15' ' ' LEU . 7.3 mm100 -85.47 -70.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.488 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -42.81 -34.84 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.565 ' CZ2' HD12 ' A' ' 15' ' ' LEU . 8.5 m0 -66.99 -67.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 107.968 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.41 -33.29 3.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.77 99.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' TRP . 26.0 m -58.9 -65.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.471 ' CD1' ' CD1' ' A' ' 98' ' ' LEU . 36.0 tp -43.39 -58.53 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -44.3 -64.11 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -51.93 -51.16 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.263 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.27 -28.88 1.51 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.12 -50.32 10.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -43.21 -47.93 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -62.38 -60.36 3.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -46.78 -59.01 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -39.01 -73.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.951 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -46.16 -72.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.056 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.57 43.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 12.0 mm100 -112.67 73.6 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.49 -50.89 67.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.1 t -50.15 -68.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -41.1 64.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 34' ' ' GLN . . . -56.68 -64.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.433 HG13 ' CD1' ' A' ' 84' ' ' LEU . 4.8 mt -41.95 -59.47 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.3 OUTLIER -41.75 -55.5 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -48.54 -69.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.519 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 19.9 m-85 -43.85 -67.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' ALA . 45.6 mt-30 -39.08 -64.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -41.63 -61.94 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.537 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 16.0 tp -51.22 -35.93 39.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.459 ' CB ' HD12 ' A' ' 77' ' ' LEU . . . -62.57 -48.6 78.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -49.85 74.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.424 ' CD2' HG23 ' A' ' 44' ' ' ILE . 94.7 m-70 -52.98 -55.22 25.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.459 ' CD2' HG23 ' A' ' 70' ' ' ILE . 68.1 mt -41.0 -56.64 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.467 ' OE1' ' CG2' ' A' ' 122' ' ' ILE . 30.0 mt-30 -47.17 -49.04 23.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.72 -29.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.544 ' OE1' ' CD1' ' A' ' 62' ' ' PHE . 2.5 mt-10 -94.79 -38.66 10.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -64.04 -49.55 71.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.544 ' CD1' ' OE1' ' A' ' 52' ' ' GLU . 9.8 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.494 0.188 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 t -65.42 179.15 0.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -68.18 -38.61 82.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' CA ' ' HE2' ' A' ' 113' ' ' LYS . 0.7 OUTLIER -62.73 -41.12 99.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -68.12 -55.79 11.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -49.1 -52.62 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -43.52 -58.6 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.601 ' OG1' ' CE1' ' A' ' 111' ' ' TYR . 2.5 m -57.06 -52.46 65.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.459 HG23 ' CD2' ' A' ' 49' ' ' LEU . 71.1 mt -41.37 -47.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.55 -39.89 94.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 3.0 mttt -61.81 -31.07 71.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.448 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 89.5 mt -66.69 -53.22 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -50.42 -52.27 39.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.404 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 1.2 m -38.77 -59.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.547 ' SG ' ' CZ ' ' A' ' 93' ' ' PHE . 62.3 m -46.97 -57.24 5.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.459 HD12 ' CB ' ' A' ' 46' ' ' ALA . 5.6 mt -37.99 -63.76 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.67 -43.57 2.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.571 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -66.03 -50.97 62.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -58.13 -63.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.0 m -39.99 -55.56 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.33 -50.53 73.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -40.57 -43.08 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.433 ' CD1' HG13 ' A' ' 39' ' ' ILE . 11.1 mt -60.99 -54.14 48.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -52.63 -42.02 64.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.547 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.491 0.186 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.54 -168.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 mt -82.22 -51.39 7.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.49 -48.54 65.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -62.41 -28.94 70.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.519 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 3.6 tp -74.15 -51.92 14.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -57.21 -17.59 12.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -5.24 35.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.5 mt -98.91 -3.01 36.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -67.02 -49.95 44.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.4 Cg_endo -74.99 -33.34 4.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 108' ' ' ILE . 96.8 mt -60.27 -51.38 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.448 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 1.0 OUTLIER -65.13 -32.51 74.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.248 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -70.75 -55.55 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 111' ' ' TYR . 31.8 m-80 -92.47 25.91 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.2 OUTLIER -45.14 -35.27 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.445 ' CD1' HD13 ' A' ' 16' ' ' LEU . 29.4 mt -76.32 -55.19 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -97.35 48.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.601 ' CE1' ' OG1' ' A' ' 69' ' ' THR . 0.0 OUTLIER -107.93 134.47 50.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.26 134.3 49.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.416 ' HE2' ' CA ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -66.11 -171.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 62.33 71.24 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.55 ' CD2' ' CG2' ' A' ' 119' ' ' VAL . 0.2 OUTLIER -37.21 150.48 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.485 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.03 -16.48 20.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -120.48 158.36 27.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -78.02 85.48 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.55 ' CG2' ' CD2' ' A' ' 115' ' ' PHE . 3.7 m -135.58 130.54 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.49 158.31 51.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 127.07 10.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.467 ' CG2' ' OE1' ' A' ' 50' ' ' GLN . 1.2 mp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -37.21 65.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -31.01 71.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.499 HD12 ' CE2' ' A' ' 19' ' ' TRP . 14.8 tp -69.31 -48.34 61.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.434 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 30.1 mt -55.77 -18.64 8.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' ALA . 1.1 mt-30 -86.33 -64.39 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -48.8 -30.46 5.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.552 ' CZ2' ' HG3' ' A' ' 52' ' ' GLU . 2.9 m0 -70.54 -63.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 108.031 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.25 -19.72 47.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 17' ' ' GLN . . . -76.94 -24.57 52.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -77.4 -59.15 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.544 ' CD1' ' CD1' ' A' ' 98' ' ' LEU . 32.8 tp -53.94 -59.16 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -40.33 -52.86 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -61.79 -48.4 80.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.538 ' HA3' ' CE1' ' A' ' 42' ' ' TYR . . . -45.01 -30.39 2.46 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.468 ' CB ' ' HD2' ' A' ' 99' ' ' LYS . . . -79.73 -44.17 21.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 32' ' ' TRP . 1.2 m-20 -54.57 -35.08 62.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -73.11 -54.92 7.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -50.32 -58.69 5.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -38.95 -67.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.0 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CD2' ' O ' ' A' ' 28' ' ' ASP . 9.8 m0 -51.47 -71.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.25 43.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -113.04 71.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.42 -51.27 70.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -48.56 -68.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.48 -38.25 63.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.8 -57.23 13.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.6 mt -53.02 -60.45 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.09 -54.33 10.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -48.1 -48.45 33.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.54 ' CE1' HD21 ' A' ' 98' ' ' LEU . 20.4 m-85 -66.95 -63.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -42.8 -61.6 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.58 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.3 mp -41.45 -54.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.523 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 7.0 tp -61.82 -42.79 99.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.467 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -53.75 -45.98 70.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -63.04 -43.4 98.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 16.1 m170 -58.71 -51.68 68.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.5 mt -42.71 -40.93 2.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' ALA . 10.4 mt-30 -63.25 -52.47 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -29.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.552 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 11.9 mm-40 -96.34 -29.98 13.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -76.74 -64.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' GLN . 4.9 pt20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.448 0.166 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.467 ' CG2' ' HG3' ' A' ' 66' ' ' GLN . 1.7 t -65.55 174.65 2.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.375 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.439 ' N ' ' OG1' ' A' ' 63' ' ' THR . 2.4 tt0 -63.05 -52.58 62.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -53.67 -22.52 9.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.467 ' HG3' ' CG2' ' A' ' 63' ' ' THR . 79.7 mt-30 -80.38 -68.79 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -44.83 -41.78 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -48.37 -48.33 36.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.621 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.2 m -73.2 -54.85 7.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.406 HG21 ' CH2' ' A' ' 19' ' ' TRP . 86.9 mt -41.43 -49.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.38 -40.69 94.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -61.52 -40.88 96.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.456 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 97.1 mt -50.55 -52.86 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -53.44 -55.79 22.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' ALA . 0.9 OUTLIER -38.29 -53.5 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 110.381 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 93' ' ' PHE . 92.1 m -52.61 -52.06 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 108.288 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 46' ' ' ALA . 14.8 mt -44.13 -59.45 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -42.45 -27.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.481 HD12 ' CD1' ' A' ' 93' ' ' PHE . 23.1 mt -79.88 -55.62 4.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -52.35 -60.31 3.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.9 m -44.01 -59.52 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.047 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.51 -51.31 65.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.22 -38.08 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.8 -53.47 18.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -55.49 -39.51 70.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.493 0.187 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -108.75 -169.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.93 -54.35 5.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 0.6 OUTLIER -51.16 -31.97 21.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 96' ' ' GLU . 65.0 m-20 -78.82 -28.53 44.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.544 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -79.06 -45.47 20.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.468 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -64.37 -12.19 40.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.465 ' HD2' ' CG ' ' A' ' 116' ' ' PRO . 0.1 OUTLIER -69.1 -10.54 58.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.479 ' CD2' ' CZ ' ' A' ' 115' ' ' PHE . 11.8 mt -104.82 5.62 33.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.535 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -75.1 -49.48 4.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.02 -34.89 3.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 107' ' ' ASN . 14.6 mt -58.13 -61.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.456 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 4.9 mt -42.51 -36.22 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -45.91 32.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' TYR . 2.3 m120 -89.93 33.85 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.438 HD13 ' CG2' ' A' ' 69' ' ' THR . 1.0 OUTLIER -77.54 -32.35 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.434 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 26.3 mt -60.06 -51.13 70.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.481 ' O ' ' O ' ' A' ' 111' ' ' TYR . 9.0 t -91.23 -55.96 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.438 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.621 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 7.1 t80 45.05 -176.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 113' ' ' LYS . 0.7 OUTLIER -168.45 33.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.617 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.5 OUTLIER 39.25 -157.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.81 34.53 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.479 ' CZ ' ' CD2' ' A' ' 101' ' ' LEU . 0.5 OUTLIER -39.55 147.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.536 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.5 Cg_endo -74.98 -2.13 12.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.536 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 46.0 m-85 -133.93 147.48 51.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -89.75 52.64 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.2 m -91.35 162.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.18 157.84 33.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 129.75 12.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.3 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -52.34 -57.7 8.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.98 -33.9 11.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.562 HD11 ' CZ2' ' A' ' 19' ' ' TRP . 1.5 mt -70.83 -57.09 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.8 mt -54.66 -19.63 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -93.41 -60.02 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -51.79 -32.48 31.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.562 ' CZ2' HD11 ' A' ' 15' ' ' LEU . 8.4 m0 -67.1 -65.0 0.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.86 -26.49 4.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.55 -41.34 84.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -59.8 -64.21 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 98' ' ' LEU . 24.2 tp -47.85 -55.15 10.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -42.81 -50.31 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.52 -47.01 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.8 -26.09 7.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.42 -40.04 14.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.28 -43.08 87.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 25.1 m-85 -62.87 -57.3 11.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.0 -54.92 11.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -43.04 -70.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -47.05 -72.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 108.018 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.43 43.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.412 ' NE2' ' OE1' ' A' ' 37' ' ' GLU . 14.1 mm100 -115.68 72.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.8 mt -63.75 -52.25 61.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.2 t -50.1 -57.69 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.577 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.8 mt-10 -62.17 -35.42 78.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.09 -63.57 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mt -44.12 -54.84 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -41.92 -53.04 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -52.05 -65.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.458 ' CZ ' HD23 ' A' ' 98' ' ' LEU . 22.3 m-30 -45.96 -62.76 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 46' ' ' ALA . 38.8 mt-30 -45.77 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 mp -41.44 -61.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.3 tp -51.38 -36.3 42.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.468 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -63.1 -42.82 99.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -46.13 90.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -57.79 -54.48 46.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 109.627 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 53' ' ' ALA . 93.3 mt -41.8 -46.53 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 53' ' ' ALA . 17.0 mt-30 -59.97 -51.4 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.34 -32.07 1.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -96.69 -26.24 15.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -79.27 -73.08 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.508 0.194 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.1 t -98.16 158.06 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 67' ' ' LYS . 16.1 mt-10 -39.91 -40.93 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -62.21 -50.18 72.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.403 ' NE2' ' CD2' ' A' ' 109' ' ' LEU . 31.2 mt-30 -61.8 -65.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.466 ' CG ' ' HA ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.17 -45.53 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.416 ' N ' ' HD3' ' A' ' 67' ' ' LYS . 4.7 mmtm -40.1 -66.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.616 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 17.5 m -54.77 -55.66 27.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.448 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' THR . 27.5 mt -38.97 -47.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.36 -43.89 96.19 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' THR . 25.7 mttt -60.96 -46.46 90.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.792 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.477 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 46.0 mt -49.54 -53.46 9.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' THR . . . -51.33 -58.63 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.495 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 1.3 m -38.5 -50.15 1.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 79' ' ' LEU . 99.0 m -55.42 -53.36 57.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 46' ' ' ALA . 10.0 mt -41.94 -62.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -38.99 -33.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 76' ' ' CYS . 23.9 mt -73.14 -57.68 3.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' CG ' ' CE2' ' A' ' 42' ' ' TYR . 29.8 tpt180 -46.73 -67.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.409 ' HB3' ' NE2' ' A' ' 85' ' ' GLN . 68.9 m -44.77 -66.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -43.04 -55.37 3.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.82 -46.5 3.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.72 -54.06 47.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.409 ' NE2' ' HB3' ' A' ' 81' ' ' SER . 9.6 mt-30 -52.57 -47.23 66.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.497 0.189 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -107.72 -169.86 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 98' ' ' LEU . 13.5 tp -78.04 -54.69 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 9.1 pt-20 -48.65 -40.02 26.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 96' ' ' GLU . 55.3 m-20 -72.17 -28.99 63.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -78.06 -50.02 12.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -20.0 4.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -8.98 38.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 98.2 mt -94.78 -3.81 48.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.543 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -71.17 -49.29 12.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.5 Cg_endo -74.99 -29.03 8.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 108' ' ' ILE . 18.3 mt -63.46 -70.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.477 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 4.1 mt -42.62 -32.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -46.52 19.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.453 ' CB ' HG22 ' A' ' 110' ' ' THR . 5.3 m-80 -88.39 22.45 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -51.82 -51.08 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.403 ' CD2' ' NE2' ' A' ' 66' ' ' GLN . 30.8 mt -62.49 -42.65 99.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.453 HG22 ' CB ' ' A' ' 107' ' ' ASN . 1.4 t -96.98 46.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.636 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 45.6 t80 -108.12 120.53 42.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 113' ' ' LYS . 3.3 m-20 -100.13 44.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.636 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.6 OUTLIER 43.44 -166.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 3.9 tt0 82.59 48.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.612 ' CD1' ' OH ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -46.02 143.95 3.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.571 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -74.98 -12.04 21.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 19.8 m-85 -125.25 152.31 44.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -78.57 91.82 4.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.3 132.07 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.07 156.67 43.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 132.47 15.47 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.481 1.78 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.495 ' CD1' ' OG1' ' A' ' 75' ' ' THR . 2.3 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.564 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 98.4 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -54.83 -47.78 73.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 t -59.05 -30.85 68.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.568 HD12 ' CZ2' ' A' ' 19' ' ' TRP . 1.4 mt -64.99 -53.14 50.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.48 -16.17 22.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -92.84 -56.41 3.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.44 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -56.99 -34.15 67.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.568 ' CZ2' HD12 ' A' ' 15' ' ' LEU . 8.0 m0 -64.98 -62.68 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 108.041 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.4 -33.2 24.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.1 50.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.9 m -48.4 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.49 ' CD2' ' HB2' ' A' ' 102' ' ' GLU . 42.3 tp -41.19 -54.21 2.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.58 -61.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.46 ' CG ' ' OD2' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -56.13 -51.89 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.43 -29.0 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . -83.13 -48.76 10.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.46 ' OD2' ' CG ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -46.33 -39.88 10.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -67.01 -62.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.19 -56.44 6.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.88 -58.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -64.39 -49.47 71.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 108.026 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.06 44.31 0.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.411 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 9.5 mm100 -111.95 72.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.245 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.28 -51.17 68.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.6 t -47.75 -66.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.3 -43.15 74.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 34' ' ' GLN . . . -54.88 -57.92 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.413 HG21 ' NE2' ' A' ' 85' ' ' GLN . 6.1 mt -45.82 -57.66 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -55.79 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -49.0 -66.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -47.19 -58.87 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 111.026 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' ALA . 46.7 mt-30 -47.41 -66.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.406 HG23 ' CD2' ' A' ' 48' ' ' HIS . 1.3 mp -41.33 -62.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.3 tp -49.1 -36.89 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.466 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -61.32 -52.78 63.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -51.75 -49.32 62.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.406 ' CD2' HG23 ' A' ' 44' ' ' ILE . 94.8 m-70 -52.65 -57.54 9.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 109.625 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.446 ' CD1' ' CG2' ' A' ' 73' ' ' ILE . 24.4 mt -40.34 -47.3 2.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' ALA . 52.5 mt-30 -57.23 -50.76 71.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' GLN . 2.5 tptt -40.15 -30.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 50' ' ' GLN . 7.1 mm-40 -96.17 -36.35 10.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -67.41 -64.26 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 2.9 pt20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CZ ' HG23 ' A' ' 12' ' ' THR . 60.1 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.504 0.192 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 64' ' ' GLU . 9.0 t -80.91 158.87 25.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' THR . 2.2 tt0 -39.04 -54.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' GLN . 66.8 mt-10 -52.42 -62.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' GLU . 1.4 mt-30 -38.41 -67.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 64' ' ' GLU . 6.0 ptmm? -51.52 -40.76 60.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.9 -66.24 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.544 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.0 OUTLIER -55.05 -49.98 70.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.8 mt -40.39 -48.52 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.61 -57.71 13.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -41.76 -48.73 4.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.467 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 79.0 mt -47.39 -55.41 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.38 -57.69 7.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.413 HG22 ' CG1' ' A' ' 119' ' ' VAL . 1.0 OUTLIER -40.55 -52.71 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.586 ' SG ' ' CZ ' ' A' ' 93' ' ' PHE . 7.1 m -53.33 -51.2 63.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.326 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 46' ' ' ALA . 15.9 mt -45.54 -58.44 3.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -42.91 -29.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.0 mt -76.37 -48.75 18.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.411 ' NH2' ' HB2' ' A' ' 95' ' ' LEU . 28.0 tpt180 -59.25 -67.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.2 m -40.25 -53.75 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.95 -51.9 66.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.23 -34.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 31.4 mt -72.56 -52.46 15.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.413 ' NE2' HG21 ' A' ' 39' ' ' ILE . 11.3 mt-30 -55.64 -40.25 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.586 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.509 0.195 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -105.95 -170.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.492 ' HG ' ' CD ' ' A' ' 99' ' ' LYS . 39.7 tp -80.43 -53.06 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 6.3 pt-20 -50.43 -53.87 26.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.476 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 67.3 m-20 -50.77 -32.91 21.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.484 ' HG ' ' CD1' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -74.87 -47.27 31.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.492 ' CD ' ' HG ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -57.87 -16.58 12.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -75.77 -1.86 27.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.2 mt -102.57 -0.46 32.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 1.2 tt0 -74.35 -51.72 4.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -74.99 -29.16 8.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 111.04 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.88 -42.2 93.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 1.8 mt -73.24 -33.91 65.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -69.53 -52.1 29.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 111' ' ' TYR . 65.4 m-20 -91.99 30.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.39 -49.39 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.7 mt -61.05 -47.03 88.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 t -106.29 52.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.544 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 0.7 OUTLIER -111.01 132.22 54.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.36 115.26 11.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.484 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -53.25 -173.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 115' ' ' PHE . 2.9 mt-10 67.19 66.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.343 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.522 ' CD2' ' HD2' ' A' ' 116' ' ' PRO . 0.4 OUTLIER -36.94 149.03 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.522 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.3 Cg_endo -75.04 -26.3 10.98 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.476 ' CZ ' ' CG ' ' A' ' 97' ' ' ASP . 83.0 m-85 -105.15 143.67 33.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.33 80.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.52 ' CG2' ' CD2' ' A' ' 115' ' ' PHE . 9.2 m -136.67 134.55 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -97.13 159.39 31.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 132.28 15.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.426 1.751 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.4 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -52.17 -37.61 55.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -34.83 68.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.561 HD22 ' CH2' ' A' ' 19' ' ' TRP . 7.6 tp -66.68 -67.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' LEU . 90.9 mt -39.74 -29.78 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' LEU . 1.6 tt0 -83.86 -69.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.2 OUTLIER -40.51 -28.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.561 ' CH2' HD22 ' A' ' 15' ' ' LEU . 6.1 m0 -69.98 -66.05 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 107.973 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.53 -35.66 29.69 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.28 -28.19 66.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.97 -43.97 32.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.447 HD22 ' CB ' ' A' ' 102' ' ' GLU . 21.1 tp -69.43 -53.37 19.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -28.29 35.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 -43.59 10.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.23 -18.72 21.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.22 -36.54 19.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . 61.7 m-20 -50.73 -44.06 58.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.529 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 26.1 m-85 -59.08 -60.48 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.6 OUTLIER -43.14 -64.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -39.35 -56.88 1.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.049 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 28' ' ' ASP . 16.5 m0 -61.87 -74.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 156.11 43.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -115.7 63.74 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 0.767 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 mt -52.06 -53.04 46.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -45.28 -67.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.529 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.4 mt-10 -51.1 -43.8 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.73 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.407 ' CG2' ' NE2' ' A' ' 43' ' ' GLN . 11.8 mt -40.53 -68.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.03 -51.21 3.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -50.29 -57.11 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.515 ' CZ ' HD23 ' A' ' 98' ' ' LEU . 21.1 m-85 -58.46 -51.53 69.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.407 ' NE2' ' CG2' ' A' ' 39' ' ' ILE . 84.0 mt-30 -52.83 -59.37 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.589 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.4 mp -44.74 -53.99 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.07 -42.85 91.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.477 ' CB ' HD13 ' A' ' 77' ' ' LEU . . . -58.89 -50.95 72.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -54.01 -47.44 71.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 13.7 m170 -54.37 -52.59 61.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.485 HD11 ' CG2' ' A' ' 73' ' ' ILE . 77.5 mt -40.57 -51.22 2.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.436 ' C ' ' N ' ' A' ' 52' ' ' GLU . 7.4 mt-30 -52.07 -49.11 64.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLN . 3.8 tptt -40.1 -30.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 50' ' ' GLN . 17.4 mm-40 -95.82 -38.02 10.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -66.3 -62.22 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' GLN . 2.8 pt20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.476 0.179 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.414 ' CG2' ' HG2' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -76.44 156.91 32.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.65 -55.62 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.421 ' O ' ' CE ' ' A' ' 113' ' ' LYS . 7.6 pt-20 -43.38 -42.01 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.415 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 31.0 mt-30 -70.9 -55.82 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -52.59 -44.5 65.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -44.15 71.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.459 ' CG2' HD13 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -74.49 -49.06 23.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.3 mt -39.83 -43.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.45 -55.01 20.0 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.434 1.084 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -47.69 -42.54 25.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.773 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.485 ' CG2' HD11 ' A' ' 49' ' ' LEU . 68.2 mt -51.44 -41.45 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.466 ' HB1' ' CD1' ' A' ' 122' ' ' ILE . . . -67.7 -50.57 56.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ALA . 54.1 m -37.61 -51.27 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.437 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.572 ' SG ' ' CZ ' ' A' ' 93' ' ' PHE . 92.7 m -55.11 -55.4 31.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 108.335 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 46' ' ' ALA . 7.5 mt -38.2 -62.75 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -39.06 -44.44 1.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.572 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -65.12 -49.53 69.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.418 ' NE ' HD23 ' A' ' 84' ' ' LEU . 14.4 tpt180 -57.62 -61.26 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -45.02 -49.63 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.25 -51.63 65.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -40.85 -43.94 2.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.418 HD23 ' NE ' ' A' ' 80' ' ' ARG . 17.8 mt -58.79 -52.23 66.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -58.14 -50.51 73.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.572 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.52 0.2 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.409 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -108.44 -169.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.7 mt -80.99 -51.56 8.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.405 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 8.7 pt-20 -52.04 -46.03 64.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -65.91 -30.49 71.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.515 HD23 ' CZ ' ' A' ' 42' ' ' TYR . 3.4 tp -73.81 -55.13 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -16.88 17.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.91 -8.02 45.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 104' ' ' ILE . 81.0 mt -99.19 -9.52 23.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.537 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.8 OUTLIER -59.31 -49.37 93.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.01 -34.68 3.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.507 HG23 ' CD1' ' A' ' 111' ' ' TYR . 66.9 mt -59.76 -49.1 85.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.437 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 1.6 mt -66.33 -35.05 79.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.15 -57.05 6.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 111' ' ' TYR . 7.1 m-80 -92.54 31.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.459 HD13 ' CG2' ' A' ' 69' ' ' THR . 0.3 OUTLIER -48.5 -32.53 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.05 -55.33 5.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.3 t -98.33 45.78 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 0.3 OUTLIER -105.37 144.27 32.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.958 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.96 113.43 15.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.568 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -60.69 -166.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.7 tm-20 84.18 -44.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.512 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.2 OUTLIER 70.94 137.25 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.512 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.4 Cg_endo -74.98 -44.38 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -79.29 -33.02 43.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.34 90.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 120' ' ' GLN . 3.8 m -127.07 122.55 60.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' VAL . 0.6 OUTLIER -37.92 156.28 0.1 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 149.9 37.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.466 ' CD1' ' HB1' ' A' ' 74' ' ' ALA . 1.2 tp . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.424 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 3.9 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -39.84 69.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.76 -29.85 70.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.569 HD11 ' CZ2' ' A' ' 19' ' ' TRP . 5.3 mt -70.17 -68.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' LEU . 43.0 mt -40.5 -29.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 15' ' ' LEU . 1.2 tt0 -86.26 -68.07 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.446 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -44.09 -34.17 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.569 ' CZ2' HD11 ' A' ' 15' ' ' LEU . 10.0 m0 -68.66 -64.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.79 -25.41 4.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.05 -36.7 61.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 19' ' ' TRP . 0.6 OUTLIER -62.42 -57.76 10.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 HD12 ' CD1' ' A' ' 98' ' ' LEU . 57.7 tp -53.48 -60.58 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.73 -55.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' ASP . 4.2 ttt180 -57.77 -46.87 83.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.13 -32.67 9.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.9 -34.95 59.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.563 ' OD1' ' CZ2' ' A' ' 32' ' ' TRP . 1.8 t0 -51.48 -53.07 41.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' HB3' ' CB ' ' A' ' 34' ' ' GLN . 62.4 m-85 -62.69 -54.17 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -46.57 -60.81 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.26 -72.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.563 ' CZ2' ' OD1' ' A' ' 28' ' ' ASP . 12.1 m0 -47.03 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.38 43.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.516 ' CB ' ' HB3' ' A' ' 29' ' ' PHE . 11.8 mt-30 -111.18 49.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.741 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' GLN . 5.1 mt -39.98 -55.56 2.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.1 p -40.31 -72.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.45 ' CD ' ' NE2' ' A' ' 34' ' ' GLN . 0.7 OUTLIER -50.64 -44.87 57.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.55 -64.18 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.414 ' CD1' ' HG3' ' A' ' 85' ' ' GLN . 14.4 mt -45.06 -57.29 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.65 -65.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' CD ' ' C ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER -43.22 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.564 ' CE1' HD22 ' A' ' 98' ' ' LEU . 19.3 m-85 -42.49 -65.24 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' ALA . 29.6 mt-30 -41.87 -67.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.431 HG23 ' CD2' ' A' ' 48' ' ' HIS . 1.1 mp -40.23 -59.7 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 22.7 tp -53.64 -40.02 65.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.46 ' CB ' HD12 ' A' ' 77' ' ' LEU . . . -57.67 -46.6 84.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.24 -52.92 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.431 ' CD2' HG23 ' A' ' 44' ' ' ILE . 95.5 m-70 -48.75 -51.32 29.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' A' ' 73' ' ' ILE . 76.8 mt -44.34 -44.58 8.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 53' ' ' ALA . 14.9 mt-30 -56.89 -50.58 72.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.97 -28.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.587 ' OE1' ' CD1' ' A' ' 62' ' ' PHE . 2.2 mt-10 -96.0 -35.65 11.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -69.84 -59.07 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' GLN . 3.8 pt20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.587 ' CD1' ' OE1' ' A' ' 52' ' ' GLU . 27.6 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.563 0.22 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 64' ' ' GLU . 10.1 t -72.4 -168.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.441 ' N ' ' OG1' ' A' ' 63' ' ' THR . 4.9 mt-10 -82.33 -42.4 18.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -64.95 -22.33 66.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.441 ' CG ' HG23 ' A' ' 63' ' ' THR . 71.6 mt-30 -82.54 -65.87 0.96 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -43.63 3.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -43.59 -64.19 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.447 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.0 OUTLIER -56.02 -50.79 69.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.386 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.8 mt -40.21 -46.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.2 -44.28 67.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -58.3 -34.99 71.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.473 ' CG2' HD12 ' A' ' 49' ' ' LEU . 94.8 mt -57.26 -53.44 43.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -56.02 -55.12 36.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.472 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 2.7 m -38.58 -52.97 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 93' ' ' PHE . 88.9 m -52.83 -49.76 65.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 108.287 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.46 HD12 ' CB ' ' A' ' 46' ' ' ALA . 18.3 mt -46.59 -57.09 5.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.86 -25.82 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.288 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.437 HD12 ' CD1' ' A' ' 93' ' ' PHE . 19.7 mt -81.36 -54.31 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.416 ' NH2' HD12 ' A' ' 95' ' ' LEU . 32.3 tpt180 -56.01 -65.43 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.6 m -41.6 -53.52 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.82 -49.42 77.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.74 -37.84 14.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.18 -49.56 60.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.414 ' HG3' ' CD1' ' A' ' 39' ' ' ILE . 17.7 mt-30 -62.54 -50.48 71.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 109.976 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.475 0.178 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.489 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -54.26 -171.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.359 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.475 ' HG ' ' CD ' ' A' ' 99' ' ' LYS . 18.2 tp -80.57 -59.18 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.489 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 12.5 pt-20 -45.64 -44.4 13.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.487 ' CG ' ' CE1' ' A' ' 117' ' ' PHE . 18.7 m-20 -55.49 -35.01 65.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.564 HD22 ' CE1' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -74.67 -51.37 14.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.475 ' CD ' ' HG ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -53.47 -21.21 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 96' ' ' GLU . 11.1 mmtt -69.33 -8.28 44.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.8 mt -98.93 0.41 43.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -73.83 -49.74 5.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -74.99 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.565 HG21 ' CE1' ' A' ' 111' ' ' TYR . 82.2 mt -47.1 -40.74 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.455 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 3.9 mt -69.76 -33.74 72.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' PRO . 22.5 mtmt -73.58 -50.78 19.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 111' ' ' TYR . 59.4 m-80 -90.27 31.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -34.11 39.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.98 -44.21 63.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.9 t -115.18 54.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.565 ' CE1' HG21 ' A' ' 104' ' ' ILE . 1.0 OUTLIER -107.91 135.34 49.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 113' ' ' LYS . 1.2 m-20 -76.91 117.1 18.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.476 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -55.01 -169.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' PHE . 0.4 OUTLIER 67.03 62.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.235 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CD2' ' HD2' ' A' ' 116' ' ' PRO . 0.3 OUTLIER -36.91 148.36 0.19 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.511 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -74.99 -25.23 12.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.487 1.783 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.487 ' CE1' ' CG ' ' A' ' 97' ' ' ASP . 61.5 m-85 -111.52 142.82 43.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.86 90.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.4 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 32.7 m -132.76 138.3 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.27 159.1 48.35 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 142.75 28.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.472 ' CD1' ' OG1' ' A' ' 75' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.562 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 31.7 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -67.83 -33.42 74.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.2 t -79.04 -23.41 44.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.974 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.53 HD12 ' CH2' ' A' ' 19' ' ' TRP . 1.9 mt -71.43 -57.09 4.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.9 mt -49.61 -26.19 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -84.9 -70.54 0.57 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -41.36 -33.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.532 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 5.9 m0 -68.58 -66.0 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.48 -30.11 8.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -34.27 76.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' TRP . 0.4 OUTLIER -64.88 -61.82 1.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.457 HD22 ' CB ' ' A' ' 102' ' ' GLU . 56.7 tp -51.64 -58.43 6.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -37.87 -47.55 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -65.61 -48.46 72.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -46.94 -28.39 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.0 -37.05 40.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -64.84 -41.0 96.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.585 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 15.7 m-85 -68.02 -56.54 8.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.409 ' OD2' ' NH2' ' A' ' 80' ' ' ARG . 10.2 t70 -53.36 -60.5 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -41.47 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.502 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 27.2 m0 -44.68 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 108.051 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.95 43.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -115.37 45.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 34' ' ' GLN . 4.1 mt -36.45 -43.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -54.21 -63.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.585 ' OE1' ' CZ ' ' A' ' 29' ' ' PHE . 6.7 mt-10 -57.57 -36.66 71.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.68 -57.2 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' ASP . 43.6 mt -52.12 -67.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.418 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -40.13 -53.0 2.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.604 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 6.1 tm-20 -49.35 -62.29 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.604 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 20.7 m-85 -53.02 -53.44 50.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -48.7 -60.45 2.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.418 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 1.2 mp -46.02 -61.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.532 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 21.2 tp -50.64 -40.72 53.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.452 ' CA ' HD11 ' A' ' 77' ' ' LEU . . . -59.21 -52.07 67.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -50.88 65.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.401 ' CD2' HG22 ' A' ' 44' ' ' ILE . 91.2 m-70 -52.56 -54.98 25.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.631 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.472 HD11 ' CG2' ' A' ' 73' ' ' ILE . 76.6 mt -40.73 -36.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 53' ' ' ALA . 32.3 mt-30 -69.16 -52.95 22.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -42.0 -28.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 50' ' ' GLN . 57.5 mm-40 -95.86 -35.09 11.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -68.86 -67.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 3.3 pt20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.562 ' CZ ' HG22 ' A' ' 12' ' ' THR . 78.1 m-85 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.516 0.198 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' GLU . 8.8 t -83.41 159.38 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' THR . 3.0 mt-10 -38.57 -58.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -46.21 -54.3 9.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -50.91 -68.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -48.11 -29.22 3.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -62.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.583 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.7 m -58.62 -50.58 73.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.5 mt -44.35 -49.23 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.78 -29.92 74.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' THR . 43.2 mttt -72.26 -35.95 68.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.472 ' CG2' HD11 ' A' ' 49' ' ' LEU . 79.4 mt -59.33 -43.91 91.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -55.93 -54.86 39.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' HD21 ' A' ' 79' ' ' LEU . 1.3 m -37.64 -61.31 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 93' ' ' PHE . 57.7 m -44.62 -59.33 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 76' ' ' CYS . 5.6 mt -35.48 -62.74 0.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 77' ' ' LEU . 1.4 mm-40 -37.67 -49.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.488 ' CD2' ' HA ' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -58.28 -58.26 9.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' ALA . 15.9 tpt180 -50.39 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.352 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.7 m -39.91 -38.76 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.2 -45.31 27.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' ARG . . . -43.34 -45.66 6.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.419 HD21 ' NE ' ' A' ' 80' ' ' ARG . 14.2 mt -60.03 -54.33 47.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -57.99 -51.88 67.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.502 0.191 . . . . 0.0 111.011 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 -167.65 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mt -82.61 -43.23 17.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.44 -49.86 75.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.428 ' CG ' ' CE1' ' A' ' 117' ' ' PHE . 84.5 m-20 -61.17 -30.49 70.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.48 HD23 ' CZ ' ' A' ' 42' ' ' TYR . 3.0 tp -74.64 -58.62 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -20.63 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.52 -9.22 47.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.9 mt -98.16 -9.07 26.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.4 OUTLIER -62.59 -50.2 79.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.5 Cg_endo -74.94 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 108' ' ' ILE . 12.4 mt -41.82 -61.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.444 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 1.9 mt -42.97 -38.15 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 103' ' ' PRO . 1.1 mtmt -77.75 -40.3 41.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 104' ' ' ILE . 57.8 m-80 -89.59 23.35 2.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -59.89 -39.16 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.61 -52.38 57.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.7 t -88.31 44.79 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.611 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 33.6 t80 -103.59 116.39 32.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 40.0 p30 -92.07 35.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.611 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 6.1 mttt 53.07 -174.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 3.3 tt0 82.03 80.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.3 OUTLIER -68.84 140.67 91.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.565 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.5 Cg_endo -74.93 -0.44 9.94 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.428 ' CE1' ' CG ' ' A' ' 97' ' ' ASP . 77.3 m-85 -138.67 146.68 41.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -76.58 93.83 3.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 33.7 m -146.53 114.39 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -71.88 161.27 79.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.61 37.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.45 1.763 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.515 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 7.6 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -40.24 71.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -70.11 -27.36 64.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.561 HD13 ' CZ2' ' A' ' 19' ' ' TRP . 0.4 OUTLIER -63.32 -47.6 81.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' GLY . 95.2 mt -64.84 -39.86 94.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -49.93 -31.55 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -81.02 -49.71 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.561 ' CZ2' HD13 ' A' ' 15' ' ' LEU . 32.9 m0 -65.74 -13.03 58.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' LEU . . . -98.23 -32.19 6.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.87 -14.0 56.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.733 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.72 -55.62 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.472 HD23 ' CB ' ' A' ' 102' ' ' GLU . 56.3 tp -52.45 -59.24 4.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -41.24 -56.19 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' ASP . 6.2 ttt180 -55.59 -53.88 51.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.31 -44.44 2.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.68 73.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.559 ' CG ' ' CZ2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -41.13 -50.47 3.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 37' ' ' GLU . 94.2 m-85 -60.22 -53.71 54.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.43 -64.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.72 -62.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.559 ' CZ2' ' CG ' ' A' ' 28' ' ' ASP . 15.5 m0 -55.51 -75.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.013 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 154.01 43.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -113.64 59.97 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -47.47 -56.51 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -40.96 -72.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -48.49 -40.86 28.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.168 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.58 -59.46 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' ASP . 7.7 mt -46.14 -68.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -39.58 -57.23 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.531 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 10.9 tm-20 -45.34 -63.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.531 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 15.7 m-85 -51.59 -55.85 16.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -50.12 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -40.25 -49.76 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 tp -64.08 -47.13 81.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.476 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -51.7 -47.0 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -49.16 78.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -52.99 -46.1 68.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.58 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.441 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 24.0 mt -52.64 -47.35 67.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' ALA . 33.4 mt-30 -59.91 -49.23 78.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.29 -28.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 15.5 mm-40 -95.87 -36.01 11.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -69.0 -62.46 1.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLN . 8.1 pt20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.515 ' CZ ' HG21 ' A' ' 12' ' ' THR . 88.3 m-85 . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.52 0.2 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.2 t -109.34 162.73 14.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -42.55 -42.86 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.254 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' CA ' ' HE3' ' A' ' 113' ' ' LYS . 4.8 mm-40 -55.8 -58.72 6.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -61.13 -50.95 71.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -56.61 -35.61 68.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -56.83 -42.56 79.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.475 ' OG1' ' CE1' ' A' ' 111' ' ' TYR . 0.9 OUTLIER -72.86 -43.23 62.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.441 ' CG2' ' O ' ' A' ' 49' ' ' LEU . 40.2 mt -42.4 -44.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 74' ' ' ALA . . . -63.62 -57.77 13.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -42.69 -40.63 2.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.421 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 69.5 mt -57.99 -50.0 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' THR . . . -56.03 -54.92 39.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' ALA . 1.2 m -37.31 -61.9 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.596 ' SG ' ' CZ ' ' A' ' 93' ' ' PHE . 74.1 m -44.53 -57.15 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 108.261 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.476 HD11 ' CB ' ' A' ' 46' ' ' ALA . 7.4 mt -38.73 -60.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.23 -48.58 3.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.505 HD11 ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.0 -52.42 65.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -57.98 -62.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.3 m -44.65 -47.45 10.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.45 -51.26 61.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.04 -50.34 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.7 mt -54.3 -51.78 63.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -56.06 -52.55 63.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.618 ' CZ ' ' CG ' ' A' ' 97' ' ' ASP . 1.4 t80 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.458 0.171 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.89 -168.45 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.42 ' CD2' HD21 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -92.76 -41.59 10.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -41.78 80.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.23 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.628 ' OD1' ' CE2' ' A' ' 117' ' ' PHE . 59.7 t0 -69.22 -33.53 73.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.51 HD23 ' CZ ' ' A' ' 42' ' ' TYR . 3.4 tp -69.15 -58.14 4.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -21.75 8.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -8.69 51.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.3 mt -98.31 -5.13 33.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.554 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -63.65 -48.71 79.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.0 -46.37 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 90.7 mt -46.51 -38.83 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.421 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 3.9 mt -75.15 -34.28 61.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' PRO . 47.0 mtpt -67.85 -59.05 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 111' ' ' TYR . 83.2 m-20 -88.31 38.53 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.405 ' CG2' ' CE1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -57.54 -47.1 85.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.16 -47.03 86.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 t -109.34 51.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.433 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.52 ' CE1' ' HA ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -104.14 132.49 50.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -72.2 119.08 15.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.52 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -56.65 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 115' ' ' PHE . 1.2 mm-40 63.93 68.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' GLU . 0.3 OUTLIER -36.59 144.42 0.27 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.05 11.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.628 ' CE2' ' OD1' ' A' ' 97' ' ' ASP . 92.3 m-85 -106.75 151.85 24.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -86.83 88.76 7.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 15.5 m -135.55 122.45 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.47 128.29 91.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 158.5 42.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.413 -0.218 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -54.78 -31.4 58.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -25.5 60.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.442 ' C ' ' N ' ' A' ' 17' ' ' GLN . 6.9 mt -72.84 -68.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 mt -40.56 -29.02 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 15' ' ' LEU . 1.8 tt0 -80.62 -65.08 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.15 -33.31 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.541 ' CZ2' ' HG3' ' A' ' 52' ' ' GLU . 4.4 m0 -68.11 -66.6 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 108.007 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.03 -30.11 2.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.82 84.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' TRP . 3.9 m -51.4 -63.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.528 ' CD2' ' CB ' ' A' ' 102' ' ' GLU . 40.7 tp -48.84 -57.28 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -40.86 -50.99 3.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -46.67 75.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.71 -24.96 34.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.34 -42.67 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.743 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . 7.2 m-20 -54.97 -46.32 75.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 9.7 m-85 -60.52 -54.7 42.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -50.11 -61.11 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -39.13 -67.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.442 ' CZ2' ' HB3' ' A' ' 28' ' ' ASP . 9.9 m0 -47.33 -72.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 107.973 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.18 42.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.103 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -118.15 72.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.47 -51.35 60.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.1 t -51.21 -60.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.57 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.2 mt-10 -56.74 -41.33 77.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.05 -58.97 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.3 mt -43.82 -59.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 1.3 t70 -40.52 -51.32 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -52.27 -67.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.529 ' CE1' HD23 ' A' ' 98' ' ' LEU . 22.9 m-85 -45.86 -61.81 1.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -44.34 -62.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.581 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.1 mp -45.35 -50.08 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.517 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 48.2 tp -61.8 -38.47 88.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.466 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -60.55 -49.2 78.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -48.93 79.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 12.3 m170 -53.22 -55.15 26.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.469 HD11 ' CG2' ' A' ' 73' ' ' ILE . 70.7 mt -41.77 -38.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 53' ' ' ALA . 12.0 mt-30 -62.67 -55.25 28.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -41.69 -28.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.541 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 66.3 mm-40 -96.64 -35.08 11.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -66.16 -40.25 90.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.418 ' HB3' ' CB ' ' A' ' 66' ' ' GLN . 88.9 m-85 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.515 0.197 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' GLU . 9.0 t -101.06 163.09 12.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -38.88 -58.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -45.41 -61.11 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.418 ' CB ' ' HB3' ' A' ' 62' ' ' PHE . 3.7 mt-30 -43.61 -49.73 7.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -59.45 -48.22 82.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -47.19 -60.55 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.589 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.1 m -60.19 -56.02 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.1 mt -40.59 -50.71 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.65 -48.25 57.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -49.92 -42.6 48.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.489 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 92.7 mt -52.99 -51.16 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.56 -53.13 58.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 m -43.04 -45.57 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 93' ' ' PHE . 61.2 m -61.98 -48.68 79.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 46' ' ' ALA . 18.5 mt -45.22 -57.61 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -43.8 -26.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 77' ' ' LEU . 24.5 mt -79.19 -52.95 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.445 ' CZ ' ' HG ' ' A' ' 95' ' ' LEU . 25.3 tpt180 -56.2 -65.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.6 m -39.37 -51.59 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.67 -43.2 94.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 80' ' ' ARG . . . -49.91 -35.71 24.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.79 -52.12 27.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -51.1 -44.04 61.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.148 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.559 0.218 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.94 -169.42 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.447 HD23 ' CD2' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -79.51 -51.75 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.36 -40.43 68.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 69.9 m-20 -66.41 -30.12 70.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.529 HD23 ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -79.24 -43.09 24.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.433 ' HD2' ' CD2' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -59.13 -15.38 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.4 ' CD ' ' HA ' ' A' ' 97' ' ' ASP . 5.4 mttt -74.42 -2.74 26.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.4 mt -100.69 -1.84 34.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.584 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -77.78 -46.31 2.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.308 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.02 -29.39 8.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.1 mt -64.66 -54.0 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.489 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 9.5 mt -56.48 -35.66 68.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.05 -43.04 55.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 103' ' ' PRO . 89.0 m-20 -91.11 25.41 2.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.429 ' CG1' ' HA ' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -58.04 -50.16 79.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.9 mt -58.44 -49.97 75.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.0 t -89.05 35.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 110.378 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.613 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 72.4 t80 -93.07 120.18 33.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -107.18 47.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.613 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.6 OUTLIER 49.89 -171.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 2.9 tt0 83.07 87.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -91.56 144.06 29.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.077 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -1.49 11.31 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 97' ' ' ASP . 82.3 m-85 -136.4 146.21 46.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.61 80.15 8.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.9 m -121.97 136.83 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.52 153.08 61.46 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 138.46 23.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.643 ' CG2' ' CZ ' ' A' ' 62' ' ' PHE . 6.9 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -67.04 -68.88 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 1.3 m -38.43 -41.89 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.568 HD13 ' CZ2' ' A' ' 19' ' ' TRP . 2.0 mt -48.25 -58.32 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.43 HD21 ' N ' ' A' ' 16' ' ' LEU . 6.9 mt -44.12 -26.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.448 ' N ' ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -83.1 -74.21 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.556 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.2 -45.92 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.339 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.584 ' CE3' HD21 ' A' ' 105' ' ' LEU . 5.5 m0 -55.49 -63.02 1.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 108.003 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.0 -27.12 59.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 17' ' ' GLN . . . -71.53 -37.07 71.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 m -57.43 -65.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.601 ' CD2' ' CB ' ' A' ' 102' ' ' GLU . 15.6 tp -44.42 -57.0 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.15 -65.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -50.37 -36.66 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.33 96.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.6 97.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 0.797 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.12 -43.56 7.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' GLY . 25.4 m-85 -64.8 -63.24 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -39.87 -61.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.254 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.56 -59.53 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.9 m0 -59.89 -75.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.035 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 156.6 43.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' A' ' 37' ' ' GLU . 6.5 mm100 -112.53 67.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 mt -54.36 -51.44 64.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -44.59 -69.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.444 ' OE1' ' NE2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -51.14 -44.84 61.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.88 -57.72 6.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.3 mt -50.58 -61.85 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -41.8 -59.51 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 13.4 tm-20 -47.11 -68.82 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.598 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 18.9 m-85 -42.71 -58.44 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -48.49 -59.12 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.416 HG22 ' NE2' ' A' ' 48' ' ' HIS . 1.2 mp -45.42 -56.53 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 63.0 tp -56.31 -35.99 68.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.468 ' CA ' HD13 ' A' ' 77' ' ' LEU . . . -61.99 -49.26 76.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -49.19 78.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.416 ' NE2' HG22 ' A' ' 44' ' ' ILE . 12.5 m170 -52.09 -39.22 59.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.576 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.447 HD11 ' CG2' ' A' ' 73' ' ' ILE . 53.9 mt -60.13 -58.23 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.449 ' C ' ' N ' ' A' ' 52' ' ' GLU . 41.3 mt-30 -47.85 -48.87 30.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -28.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.6 ' OE1' ' CD1' ' A' ' 62' ' ' PHE . 3.6 mt-10 -95.95 -38.39 10.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -64.3 -45.1 89.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.643 ' CZ ' ' CG2' ' A' ' 12' ' ' THR . 67.3 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.46 0.171 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.9 t -109.1 159.66 16.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.361 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLU . 3.1 mm-40 -41.59 -60.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' GLU . 26.7 mt-10 -38.89 -39.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 69' ' ' THR . 52.9 mt-30 -82.17 -60.34 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -45.15 -50.45 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.405 ' CE ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -49.73 -37.93 31.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.599 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.7 m -77.64 -52.98 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' THR . 96.8 mt -39.23 -43.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' LYS . . . -65.96 -63.96 3.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.551 1.157 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' GLY . 16.2 mttm -39.81 -46.37 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.507 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 32.8 mt -49.12 -53.62 7.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.05 -52.04 66.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.488 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 2.1 m -44.09 -42.25 6.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 32.8 m -63.23 -49.44 74.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 108.316 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.468 HD13 ' CA ' ' A' ' 46' ' ' ALA . 17.3 mt -44.25 -59.78 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -41.19 -33.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.93 -52.75 15.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.4 ' NH1' ' HA ' ' A' ' 94' ' ' LYS . 15.1 tpt180 -54.63 -64.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.1 m -46.01 -57.03 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 83' ' ' ALA . . . -53.52 -52.21 60.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 82' ' ' ALA . . . -40.57 -40.4 1.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.2 mt -66.09 -54.11 29.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -58.8 -47.72 83.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.948 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.492 0.187 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.4 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -105.94 -169.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 99' ' ' LYS . 3.4 mt -76.23 -57.04 4.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -48.62 -56.04 9.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -54.95 -19.37 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.549 HD23 ' CE1' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -92.2 -41.19 10.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -64.37 -10.59 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -78.7 1.46 22.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 79.4 mt -102.02 -9.77 20.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.608 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -71.73 -45.47 12.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.0 -36.62 2.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 69.5 mt -60.63 -45.06 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.584 HD21 ' CE3' ' A' ' 19' ' ' TRP . 4.1 mt -64.98 -33.03 75.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -41.77 46.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 111' ' ' TYR . 70.6 m-80 -89.62 21.92 3.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.0 -39.91 51.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.73 -43.49 75.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.2 t -107.9 45.12 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.599 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 49.9 t80 -92.78 -36.65 12.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.526 ' O ' ' CG ' ' A' ' 113' ' ' LYS . 0.5 OUTLIER 63.21 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 112' ' ' ASN . 10.7 mttt -175.95 -172.86 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER 78.81 97.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.523 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.7 OUTLIER -92.01 148.01 36.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.529 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.3 Cg_endo -74.94 -3.41 13.88 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.529 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 32.6 m-85 -140.64 169.77 17.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -114.7 91.53 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.2 m -134.77 130.1 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.47 144.7 95.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.256 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 150.06 37.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.488 ' CD1' ' OG1' ' A' ' 75' ' ' THR . 2.8 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' LEU . 11.2 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.91 -51.1 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.47 -23.57 63.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.52 HD13 ' CD2' ' A' ' 19' ' ' TRP . 1.5 tm? -66.66 -59.03 3.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 mt -46.49 -25.2 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' N ' ' C ' ' A' ' 15' ' ' LEU . 5.8 mm-40 -78.81 -70.78 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -43.6 -28.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.52 ' CD2' HD13 ' A' ' 15' ' ' LEU . 1.4 m0 -68.92 -67.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 107.992 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.86 -36.86 42.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.32 -49.99 68.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.5 m -50.6 -63.8 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.428 ' CD1' ' HG ' ' A' ' 98' ' ' LEU . 38.2 tp -48.68 -56.14 9.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -50.78 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -48.37 73.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -46.87 -27.08 3.14 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.64 -39.45 20.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.5 -36.86 74.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.589 ' CE1' ' CD ' ' A' ' 37' ' ' GLU . 59.6 m-85 -70.21 -54.66 11.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -50.3 -57.97 6.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.1 t -44.04 -72.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -42.94 -75.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 107.995 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.49 39.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.472 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -114.66 103.85 11.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.442 ' CD2' ' N ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -89.88 -50.33 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.453 ' CG2' ' N ' ' A' ' 37' ' ' GLU . 26.8 m -48.22 -56.22 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.589 ' CD ' ' CE1' ' A' ' 29' ' ' PHE . 6.5 mt-10 -61.28 -43.72 98.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.608 ' O ' ' CD2' ' A' ' 42' ' ' TYR . . . -54.28 -51.1 65.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.406 HG21 ' NE2' ' A' ' 85' ' ' GLN . 7.4 mt -66.31 -42.47 90.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -55.73 -56.7 17.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -53.42 -69.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.608 ' CD2' ' O ' ' A' ' 38' ' ' ALA . 21.4 m-85 -39.97 -61.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' ALA . 55.2 mt-30 -46.14 -65.69 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.46 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.2 mp -42.14 -57.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.4 tp -54.5 -39.47 67.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.471 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -61.11 -46.82 89.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -61.93 -33.48 74.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 15.1 m170 -69.93 -49.42 52.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.651 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.505 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 38.3 mt -41.81 -43.77 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' GLN . 38.6 mt-30 -65.21 -48.51 73.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -28.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.495 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 14.7 mm-40 -95.85 -33.31 12.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -74.51 -65.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLN . 5.6 pt20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.523 ' CD2' HD12 ' A' ' 70' ' ' ILE . 9.3 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.453 0.168 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.467 HG22 ' CG ' ' A' ' 65' ' ' GLU . 13.4 t -72.31 163.59 27.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -55.48 5.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.521 ' CB ' ' HE3' ' A' ' 113' ' ' LYS . 2.1 pt-20 -57.61 -25.91 60.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 60.7 mt-30 -81.96 -66.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 63' ' ' THR . 11.7 ptmt -48.03 -27.05 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -60.44 -68.85 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.501 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 18.5 m -42.28 -56.47 2.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.523 HD12 ' CD2' ' A' ' 62' ' ' PHE . 13.7 mt -40.84 -50.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.76 -37.99 95.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 69' ' ' THR . 56.2 mttt -68.76 -42.79 77.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.764 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.489 ' CG2' HD12 ' A' ' 49' ' ' LEU . 70.4 mt -51.76 -54.86 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -47.03 -60.23 2.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' ALA . 2.0 m -37.6 -54.0 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 93' ' ' PHE . 58.0 m -51.48 -51.47 54.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.258 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.471 HD11 ' CB ' ' A' ' 46' ' ' ALA . 14.4 mt -46.16 -59.12 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -41.64 -31.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.478 HD12 ' CD1' ' A' ' 93' ' ' PHE . 12.3 mt -73.24 -48.81 31.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' LEU . 27.4 tpt180 -61.68 -65.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.4 m -38.64 -56.29 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.413 1.071 . . . . 0.0 109.99 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.2 -53.67 55.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.73 -38.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.2 mt -66.87 -53.85 28.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.406 ' NE2' HG21 ' A' ' 39' ' ' ILE . 25.2 mt-30 -54.22 -57.42 11.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 1.1 t80 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.483 0.183 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.488 ' CD ' ' HG2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -56.03 -170.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 98' ' ' LEU . 35.4 tp -82.28 -57.76 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.488 ' HG2' ' CD ' ' A' ' 94' ' ' LYS . 6.5 pt-20 -46.26 -42.7 14.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -59.32 -32.41 70.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.514 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -75.86 -46.57 29.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -11.56 55.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.46 ' HE2' ' CZ ' ' A' ' 117' ' ' PHE . 24.1 mtpt -72.32 -7.52 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.6 mt -100.83 -13.14 18.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.538 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -54.31 -49.22 91.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.5 Cg_endo -75.01 -49.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.799 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.563 HG22 ' CE1' ' A' ' 111' ' ' TYR . 53.5 mt -43.39 -52.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.475 ' CD2' HD13 ' A' ' 73' ' ' ILE . 7.1 mt -60.12 -36.33 77.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -69.57 -51.78 32.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.485 ' OD1' ' CG2' ' A' ' 110' ' ' THR . 9.4 m-80 -87.68 34.64 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.427 ' CG1' ' HA ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.69 -20.96 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -88.41 -30.0 19.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.485 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 7.3 t -117.78 39.82 3.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.425 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.563 ' CE1' HG22 ' A' ' 104' ' ' ILE . 24.5 t80 -100.44 -20.1 15.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.498 ' O ' ' CG ' ' A' ' 113' ' ' LYS . 11.1 m-80 58.62 -91.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.521 ' HE3' ' CB ' ' A' ' 65' ' ' GLU . 12.1 mttt -175.98 -168.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 3.0 tt0 81.96 66.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 1.3 t80 -62.02 140.58 95.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.0 -47.21 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.46 ' CZ ' ' HE2' ' A' ' 100' ' ' LYS . 53.7 m-85 -86.08 140.63 30.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.44 79.97 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.48 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 5.2 m -130.15 121.03 50.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.14 158.02 82.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 137.69 22.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.667 ' CG2' ' CZ ' ' A' ' 62' ' ' PHE . 54.7 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -51.87 -55.65 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.74 -37.89 53.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.597 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -52.23 -46.09 65.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.19 -20.86 4.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -88.45 -72.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.597 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.93 -44.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.569 ' CZ2' HD12 ' A' ' 15' ' ' LEU . 6.5 m0 -55.7 -64.6 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.002 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.16 -35.69 60.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.78 88.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -56.92 15.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 98' ' ' LEU . 59.1 tp -52.38 -58.18 7.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -54.2 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -60.76 -55.11 37.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' HA3' ' CE1' ' A' ' 42' ' ' TYR . . . -42.93 -32.42 1.44 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.62 -50.31 12.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.6 -37.01 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 21.1 m-85 -72.73 -51.41 19.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.74 -56.96 10.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.43 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -49.6 -69.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 107.971 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.97 46.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -115.23 68.98 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.767 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mt -57.74 -58.3 8.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.459 ' CG1' ' H ' ' A' ' 37' ' ' GLU . 2.3 p -43.46 -68.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.8 mt-10 -51.98 -44.05 63.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.96 -63.18 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.0 mt -40.78 -59.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.45 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.8 OUTLIER -41.06 -58.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -50.25 -68.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.562 ' CE1' HD22 ' A' ' 98' ' ' LEU . 21.3 m-85 -43.28 -60.54 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' ALA . 77.8 mt-30 -49.4 -62.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.45 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 1.2 mp -42.41 -54.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -54.04 -39.84 66.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' GLN . . . -58.09 -49.32 77.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -47.04 82.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -54.89 -51.45 65.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.485 HD12 ' CG2' ' A' ' 73' ' ' ILE . 90.9 mt -43.53 -46.26 6.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' GLN . 30.5 mt-30 -58.98 -47.61 84.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -40.58 -31.74 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 17.9 mm-40 -96.0 -35.99 11.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -68.4 -62.26 1.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLN . 4.8 pt20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.667 ' CZ ' ' CG2' ' A' ' 12' ' ' THR . 58.2 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.449 0.166 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.3 t -92.74 159.87 15.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -38.94 -59.97 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -44.47 -62.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.401 ' CG ' HG21 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -45.55 -57.95 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -46.72 -52.56 13.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -60.93 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.34 -49.84 68.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.403 ' CG2' ' O ' ' A' ' 49' ' ' LEU . 36.6 mt -42.51 -52.14 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.468 ' CA ' HG12 ' A' ' 122' ' ' ILE . . . -63.11 -57.33 16.01 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 71' ' ' GLY . 26.4 mttt -39.96 -53.14 2.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.485 ' CG2' HD12 ' A' ' 49' ' ' LEU . 99.6 mt -43.69 -49.66 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -53.74 -58.3 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 m -41.14 -47.96 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 93' ' ' PHE . 89.3 m -57.11 -46.15 82.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 108.32 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' ALA . 17.5 mt -51.7 -57.04 10.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.66 -29.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.4 mt -77.15 -57.47 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.429 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 15.6 tpt180 -47.6 -67.16 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.7 m -41.57 -63.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.152 . . . . 0.0 110.018 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.85 -53.1 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.61 -40.49 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.429 HD23 ' CZ ' ' A' ' 80' ' ' ARG . 25.5 mt -64.23 -54.27 36.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -56.03 -45.94 79.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.451 0.167 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.463 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.1 OUTLIER -105.95 -170.38 1.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 98' ' ' LEU . 6.9 tp -77.51 -57.02 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.463 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 10.7 pt-20 -49.27 -36.33 20.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.434 ' CG ' ' CE1' ' A' ' 117' ' ' PHE . 50.6 m-20 -71.39 -31.34 67.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.562 HD22 ' CE1' ' A' ' 42' ' ' TYR . 2.9 tp -76.16 -52.22 10.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -54.54 -20.34 7.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -9.51 48.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.3 mt -96.55 -4.61 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.531 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -69.93 -49.61 19.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.03 -29.13 8.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.69 -47.81 89.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.481 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 4.1 mt -68.83 -31.75 70.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.17 -53.04 11.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.494 ' OD1' ' CG2' ' A' ' 110' ' ' THR . 54.8 m-80 -90.65 20.41 4.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.401 HG21 ' CG ' ' A' ' 66' ' ' GLN . 0.1 OUTLIER -39.58 -38.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.96 -53.9 9.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.494 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 9.8 t -97.0 47.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.451 ' CE1' ' HA ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -110.45 136.16 50.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.73 128.58 33.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.451 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -60.3 -169.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 66.02 68.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.254 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.542 ' CD2' ' HD2' ' A' ' 116' ' ' PRO . 0.3 OUTLIER -38.22 147.65 0.25 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.542 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.4 Cg_endo -75.01 -14.99 20.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.434 ' CE1' ' CG ' ' A' ' 97' ' ' ASP . 77.0 m-85 -123.21 154.91 38.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.79 91.43 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.403 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 18.2 m -143.71 112.71 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.02 156.92 88.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 145.4 31.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.468 HG12 ' CA ' ' A' ' 71' ' ' GLY . 11.1 mm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.536 0.208 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -31.22 71.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.2 -24.39 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.567 HD11 ' CZ2' ' A' ' 19' ' ' TRP . 5.2 mt -68.64 -65.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.455 HD21 ' CG2' ' A' ' 108' ' ' ILE . 59.7 mt -41.91 -28.14 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 15' ' ' LEU . 1.5 tt0 -87.17 -68.16 0.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.438 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -43.99 -33.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.172 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.567 ' CZ2' HD11 ' A' ' 15' ' ' LEU . 7.6 m0 -68.02 -65.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.002 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.29 -25.38 18.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.566 1.166 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.12 -18.54 62.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.93 -56.25 3.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.465 HD23 ' CG ' ' A' ' 102' ' ' GLU . 28.1 tp -50.37 -59.36 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.62 -63.98 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -48.71 -30.96 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.49 -33.78 85.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.556 1.16 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.38 -40.93 73.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.475 ' O ' ' CG ' ' A' ' 32' ' ' TRP . 3.2 m-20 -47.36 -40.81 18.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.599 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 18.5 m-85 -72.98 -55.3 6.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -46.95 -47.45 21.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.43 -70.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.475 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 16.5 m0 -47.1 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 108.042 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.0 42.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.511 ' CB ' ' HB3' ' A' ' 29' ' ' PHE . 2.0 mt-30 -111.95 48.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.334 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mt -42.13 -54.17 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -40.46 -72.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.599 ' OE1' ' CZ ' ' A' ' 29' ' ' PHE . 2.9 mt-10 -48.06 -43.15 30.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.56 -56.81 8.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 55.3 mt -50.59 -54.63 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.448 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -49.46 -55.15 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.552 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 3.6 tm-20 -51.03 -69.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 110.317 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.578 ' CE1' HD21 ' A' ' 98' ' ' LEU . 22.1 m-85 -42.65 -65.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -42.97 -60.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.571 HG22 ' CE1' ' A' ' 48' ' ' HIS . 1.3 mp -43.43 -62.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.543 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 62.5 tp -51.19 -38.48 52.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.465 ' CA ' HD11 ' A' ' 77' ' ' LEU . . . -59.83 -55.06 38.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -27.17 67.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CE1' HG22 ' A' ' 44' ' ' ILE . 1.3 m80 -75.17 -37.52 61.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.48 HD12 ' CG2' ' A' ' 73' ' ' ILE . 19.4 mt -57.6 -51.15 70.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.444 ' C ' ' N ' ' A' ' 52' ' ' GLU . 43.1 mt-30 -53.05 -43.53 66.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -38.2 -32.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 50' ' ' GLN . 6.7 mt-10 -95.28 -40.61 9.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -60.03 -28.46 67.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 3.9 pt20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.353 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.443 ' CD1' ' OE1' ' A' ' 52' ' ' GLU . 75.8 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.481 0.181 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -93.51 155.95 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -45.29 -55.43 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -48.97 -34.0 12.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 109' ' ' LEU . 37.9 mt-30 -79.91 -49.12 12.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.6 OUTLIER -59.45 -54.99 40.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -31.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.49 -41.11 20.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LYS . 44.9 mt -51.22 -44.58 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.79 -51.54 45.68 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.81 -54.55 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.486 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 96.6 mt -43.11 -51.33 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.454 ' N ' HD11 ' A' ' 49' ' ' LEU . . . -54.64 -54.79 36.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' ALA . 31.4 m -37.85 -52.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.601 ' SG ' ' CZ ' ' A' ' 93' ' ' PHE . 83.6 m -53.43 -54.09 41.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.465 HD11 ' CA ' ' A' ' 46' ' ' ALA . 10.0 mt -39.97 -62.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -40.76 -44.69 2.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -63.64 -48.17 78.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -61.8 -59.1 5.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.7 m -43.98 -50.19 8.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.39 -48.1 76.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.24 -45.63 4.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.3 mt -59.7 -53.66 55.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -58.15 -37.01 73.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.601 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.505 0.193 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.469 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -106.13 -170.03 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 98' ' ' LEU . 9.0 tp -78.76 -55.25 5.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 9.7 pt-20 -48.6 -50.8 31.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 96.6 m-20 -60.36 -31.37 70.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.578 HD21 ' CE1' ' A' ' 42' ' ' TYR . 2.0 tp -73.51 -58.26 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -17.25 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -11.06 49.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 32.7 mt -98.61 -5.94 30.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.566 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -61.42 -47.67 92.94 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.1 Cg_endo -75.04 -46.04 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 43.9 mt -45.73 -51.93 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.486 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 0.9 OUTLIER -60.11 -30.38 69.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 103' ' ' PRO . 3.5 mmmt -76.28 -48.0 21.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.418 ' HB3' ' CG2' ' A' ' 110' ' ' THR . 60.7 m-20 -90.98 23.98 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.455 ' CG2' HD21 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -53.44 -39.16 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.41 ' HA ' ' NE2' ' A' ' 66' ' ' GLN . 25.2 mt -71.26 -48.96 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.418 ' CG2' ' HB3' ' A' ' 107' ' ' ASN . 7.7 t -91.92 36.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.481 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 64.4 t80 -92.85 134.95 34.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' A' ' 113' ' ' LYS . 22.3 m-80 -82.91 -89.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.564 ' CG ' ' O ' ' A' ' 112' ' ' ASN . 0.0 OUTLIER 174.25 -167.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 2.2 tt0 85.8 -46.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 1.0 OUTLIER 66.42 148.77 0.11 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.05 0.78 8.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 97' ' ' ASP . 97.4 m-85 -148.19 171.8 15.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -129.04 88.46 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 120' ' ' GLN . 27.2 m -131.38 123.83 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 119' ' ' VAL . 3.0 mt-30 -38.38 121.14 1.09 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.6 11.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 74' ' ' ALA . 2.9 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.522 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 4.8 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -30.28 65.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 t -83.83 -23.1 31.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.981 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.4 -33.59 69.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.8 mt -78.76 -43.94 24.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -60.05 -32.49 70.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -78.6 -44.6 23.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.557 ' CZ2' ' HG3' ' A' ' 52' ' ' GLU . 6.2 m0 -60.59 -31.89 71.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 108.048 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.09 -18.76 64.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 -22.8 56.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 m -78.69 -65.37 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.476 HD12 ' CD1' ' A' ' 98' ' ' LEU . 50.0 tp -43.82 -56.58 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.68 -50.82 17.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.7 ttt180 -64.21 -52.01 60.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.48 -26.36 1.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.88 -38.58 19.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -56.97 -44.9 83.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.569 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 54.8 m-85 -66.62 -51.56 54.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.28 -57.42 10.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.56 -67.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.502 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 20.8 m0 -43.76 -72.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 107.978 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.04 43.36 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.555 1.16 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -118.9 72.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mt -61.79 -54.01 48.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.8 t -48.0 -60.23 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.569 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -56.22 -42.99 78.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.72 -64.09 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.43 HG13 ' CD1' ' A' ' 84' ' ' LEU . 6.6 mt -41.27 -59.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.404 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -46.55 -49.37 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -53.78 -66.02 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.498 ' CE2' ' HG2' ' A' ' 80' ' ' ARG . 20.2 m-85 -49.51 -64.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' ALA . 63.0 mt-30 -39.46 -62.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.553 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.3 mp -42.08 -60.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.8 tp -50.65 -37.96 43.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.475 ' CB ' HD12 ' A' ' 77' ' ' LEU . . . -58.3 -64.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -29.83 65.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.553 ' CE1' HG23 ' A' ' 44' ' ' ILE . 1.4 m80 -70.79 -31.38 68.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.582 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD11 ' CG2' ' A' ' 73' ' ' ILE . 16.8 mt -66.55 -42.36 87.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 52' ' ' GLU . 63.8 mt-30 -60.12 -46.19 90.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' GLN . 7.7 tptt -39.31 -32.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.557 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 57.8 mm-40 -96.04 -37.52 10.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -64.97 -61.1 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.4 pt20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.522 ' CZ ' HG23 ' A' ' 12' ' ' THR . 21.6 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.547 0.213 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.402 ' HG1' ' N ' ' A' ' 64' ' ' GLU . 1.9 t -104.78 171.13 7.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.417 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' N ' ' HG1' ' A' ' 63' ' ' THR . 1.5 mt-10 -52.01 -51.9 54.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.332 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.419 ' CA ' ' HE2' ' A' ' 113' ' ' LYS . 10.3 mm-40 -46.67 -58.91 3.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -53.78 -59.6 4.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -40.66 -49.42 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.27 -68.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.407 ' OG1' ' CE1' ' A' ' 111' ' ' TYR . 1.1 m -47.93 -54.28 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.445 ' CG2' HD23 ' A' ' 49' ' ' LEU . 80.1 mt -40.76 -43.24 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.64 -51.8 11.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' CG ' ' HB3' ' A' ' 121' ' ' PRO . 11.4 mttt -47.15 -41.73 18.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.464 ' CG2' HD11 ' A' ' 49' ' ' LEU . 88.8 mt -53.17 -56.93 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.41 ' HB2' ' CD1' ' A' ' 122' ' ' ILE . . . -47.68 -56.25 7.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.9 m -39.86 -49.21 2.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.426 ' CB ' HD12 ' A' ' 101' ' ' LEU . 47.2 m -57.32 -50.13 73.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.475 HD12 ' CB ' ' A' ' 46' ' ' ALA . 16.0 mt -44.07 -59.11 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.33 -27.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.404 ' N ' ' C ' ' A' ' 77' ' ' LEU . 20.7 mt -79.28 -58.1 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.498 ' HG2' ' CE2' ' A' ' 42' ' ' TYR . 14.2 tpt85 -48.89 -65.28 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.5 m -41.2 -61.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 86' ' ' SER . . . -50.94 -46.81 61.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.72 -36.97 17.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.431 HD23 ' CZ ' ' A' ' 80' ' ' ARG . 21.3 mt -67.35 -50.38 60.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -66.95 -19.36 65.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 82' ' ' ALA . 1.3 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.549 ' CE1' ' CD1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.552 0.215 . . . . 0.0 110.956 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 -168.8 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.437 ' CD2' HD21 ' A' ' 98' ' ' LEU . 8.8 mt -81.82 -53.13 6.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 9.3 pt-20 -51.15 -33.8 28.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 77.3 m-20 -81.51 -25.8 35.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.486 HD23 ' CZ ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -79.29 -39.84 31.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -56.56 -18.19 10.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 96' ' ' GLU . 19.3 mtpp -70.9 -6.29 37.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.426 HD12 ' CB ' ' A' ' 76' ' ' CYS . 83.2 mt -100.36 2.13 42.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.521 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -79.14 -50.21 1.4 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.06 -30.21 7.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.03 -46.45 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.443 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 1.4 mt -70.42 -31.66 68.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -51.57 20.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 110' ' ' THR . 9.7 m-80 -92.11 24.71 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.61 -36.37 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.64 -35.18 39.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 107' ' ' ASN . 0.0 OUTLIER -112.72 52.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.407 ' CE1' ' OG1' ' A' ' 69' ' ' THR . 0.7 OUTLIER -120.15 125.03 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -71.32 123.59 22.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.419 ' HE2' ' CA ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -53.22 -175.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 115' ' ' PHE . 0.9 OUTLIER 77.85 60.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.55 ' CD2' ' HD2' ' A' ' 116' ' ' PRO . 0.5 OUTLIER -36.52 147.78 0.19 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.989 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.0 -38.35 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.771 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.549 ' CD1' ' CE1' ' A' ' 93' ' ' PHE . 93.7 m-85 -85.84 -10.53 55.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' PHE . 33.7 m-20 39.38 82.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 120' ' ' GLN . 5.9 m -124.38 127.95 73.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' VAL . 0.2 OUTLIER -38.44 124.19 1.12 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.426 ' HB3' ' CG ' ' A' ' 72' ' ' LYS . 18.1 Cg_endo -74.95 148.33 35.37 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.475 1.776 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 74' ' ' ALA . 2.1 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.519 HG21 ' CE1' ' A' ' 62' ' ' PHE . 93.2 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.3 -25.32 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 p -87.64 -18.62 29.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.957 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.482 HD11 ' CH2' ' A' ' 19' ' ' TRP . 4.9 mt -71.15 -68.17 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.3 mt -41.23 -28.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 15' ' ' LEU . 9.6 mt-30 -86.21 -70.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -40.08 -32.28 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.256 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.482 ' CH2' HD11 ' A' ' 15' ' ' LEU . 6.6 m0 -69.23 -66.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.025 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.57 -23.49 4.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.6 -34.98 70.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 19' ' ' TRP . 3.7 m -62.8 -62.04 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.035 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.494 HD12 ' CD1' ' A' ' 98' ' ' LEU . 21.8 tp -50.82 -58.37 6.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -37.96 -46.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -74.26 -48.17 30.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.7 -37.63 3.95 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.29 -52.92 42.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.516 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 24.6 m-20 -41.11 -56.63 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -55.6 -52.71 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -64.31 0.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 m -41.04 -65.8 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CH2' ' HB3' ' A' ' 28' ' ' ASP . 28.9 m0 -48.62 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.67 43.53 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.531 1.145 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -114.18 68.31 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.317 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 mt -56.47 -58.91 6.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.404 ' CG1' ' H ' ' A' ' 37' ' ' GLU . 1.4 p -42.37 -71.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' H ' ' CG1' ' A' ' 36' ' ' VAL . 0.5 OUTLIER -51.77 -44.43 63.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 34' ' ' GLN . . . -52.51 -62.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.43 HG13 ' CD1' ' A' ' 84' ' ' LEU . 3.4 mt -43.42 -52.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.93 -53.87 9.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -50.18 -66.16 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.553 ' CE1' HD23 ' A' ' 98' ' ' LEU . 22.0 m-85 -46.08 -66.98 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -40.57 -64.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.439 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 1.1 mp -43.2 -54.3 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.406 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 20.7 tp -58.19 -40.89 82.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.452 ' CB ' HD12 ' A' ' 77' ' ' LEU . . . -56.66 -58.33 8.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -34.71 63.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.439 ' ND1' ' O ' ' A' ' 44' ' ' ILE . 1.3 m80 -66.13 -36.43 83.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.478 HD12 ' CG2' ' A' ' 73' ' ' ILE . 71.8 mt -65.64 -58.5 5.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.442 ' C ' ' N ' ' A' ' 52' ' ' GLU . 7.5 mt-30 -47.45 -44.9 25.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -29.04 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 50' ' ' GLN . 33.1 mm-40 -94.1 -40.58 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -60.81 -37.11 80.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.28 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.519 ' CE1' HG21 ' A' ' 12' ' ' THR . 39.3 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.495 0.188 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.415 HG23 ' CG ' ' A' ' 65' ' ' GLU . 5.4 t -80.56 156.89 26.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -47.88 -62.55 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.492 ' CB ' ' HE3' ' A' ' 113' ' ' LYS . 8.4 pt-20 -41.89 -32.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.407 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 27.1 mt-30 -81.5 -50.31 9.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -56.28 -37.39 69.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -59.58 -54.7 43.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.603 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 48.2 m -51.8 -58.12 7.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.455 HG22 ' CD2' ' A' ' 49' ' ' LEU . 63.5 mt -40.91 -43.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.471 ' CA ' HG12 ' A' ' 122' ' ' ILE . . . -65.38 -56.57 14.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 1.7 mttt -41.06 -38.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.479 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 71.9 mt -62.63 -59.13 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.33 -44.83 5.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.409 ' O ' HD21 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -53.4 -58.2 7.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.59 ' SG ' ' CZ ' ' A' ' 93' ' ' PHE . 71.9 m -47.54 -55.7 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 108.31 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.452 HD12 ' CB ' ' A' ' 46' ' ' ALA . 3.6 mt -38.97 -63.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' LEU . 1.4 mm-40 -37.53 -51.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -54.91 -56.08 23.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.411 ' NH1' ' HA ' ' A' ' 94' ' ' LYS . 28.4 tpt180 -56.3 -61.63 2.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.417 ' O ' ' NE2' ' A' ' 85' ' ' GLN . 75.3 m -39.13 -52.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.61 -48.02 73.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -40.84 -53.82 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.43 ' CD1' HG13 ' A' ' 39' ' ' ILE . 23.0 mt -52.84 -48.86 66.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 81' ' ' SER . 23.8 mt-30 -59.8 -39.84 86.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.59 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.528 0.204 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.411 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -106.23 -170.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 98' ' ' LEU . 3.5 tp -75.31 -59.94 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.36 -46.92 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -60.63 -38.22 84.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.553 HD23 ' CE1' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -74.23 -46.39 42.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -53.36 -23.16 8.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -72.07 -5.64 36.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 90.0 mt -99.56 -3.61 32.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -72.69 -50.32 7.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.0 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 108' ' ' ILE . 15.8 mt -45.48 -51.37 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.479 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -52.58 -35.42 53.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 103' ' ' PRO . 15.6 mttt -79.55 -38.12 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.459 ' OD1' ' CG2' ' A' ' 110' ' ' THR . 32.7 m-80 -88.67 16.16 7.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -54.41 -28.67 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.0 mt -80.98 -47.17 14.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.459 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 8.5 t -91.84 34.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.603 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 17.7 t80 -82.63 125.8 31.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -97.71 27.52 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.598 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 12.6 mttt 51.0 -179.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.8 tt0 80.24 74.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -57.78 144.43 73.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.441 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -74.98 -14.28 21.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.441 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 48.1 m-85 -116.38 152.36 34.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -77.09 68.76 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.06 131.78 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -88.45 158.34 48.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 134.14 17.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.471 HG12 ' CA ' ' A' ' 71' ' ' GLY . 10.8 mm . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.4 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -41.05 52.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -29.31 69.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.441 ' C ' ' N ' ' A' ' 17' ' ' GLN . 4.1 mt -69.05 -61.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 105' ' ' LEU . 0.9 OUTLIER -42.59 -28.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.441 ' N ' ' C ' ' A' ' 15' ' ' LEU . 33.4 mt-30 -89.15 -70.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.418 ' CD ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -38.71 -33.5 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.505 ' CZ2' ' HG3' ' A' ' 52' ' ' GLU . 4.4 m0 -70.17 -67.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 108.029 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.82 -27.82 14.47 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.7 -42.0 95.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.2 -63.03 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 110.018 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.449 ' CD1' ' HG ' ' A' ' 98' ' ' LEU . 52.7 tp -47.29 -59.82 2.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -40.25 -46.99 2.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -44.95 70.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.09 -35.67 33.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.89 -44.65 61.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.504 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . 67.4 m-20 -50.45 -54.28 23.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 37' ' ' GLU . 16.3 m-85 -51.73 -59.16 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -54.09 -54.31 41.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.02 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.504 ' CZ2' ' HB3' ' A' ' 28' ' ' ASP . 5.1 m0 -55.46 -65.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.97 47.8 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' LEU . 13.6 mm100 -115.98 45.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' GLN . 4.5 mt -36.68 -43.25 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.01 -59.98 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.9 mt-10 -61.69 -39.86 92.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 42' ' ' TYR . . . -56.85 -50.18 73.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.455 ' CG2' ' NE2' ' A' ' 43' ' ' GLN . 7.8 mt -54.15 -60.06 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.85 -60.87 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -46.19 -59.54 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.54 ' CE1' HD23 ' A' ' 98' ' ' LEU . 18.7 m-85 -51.31 -63.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.455 ' NE2' ' CG2' ' A' ' 39' ' ' ILE . 87.9 mt-30 -47.94 -62.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.562 HG22 ' CE1' ' A' ' 48' ' ' HIS . 1.1 mp -40.83 -56.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 55.3 tp -55.5 -42.96 75.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.474 ' CB ' HD13 ' A' ' 77' ' ' LEU . . . -55.65 -53.55 55.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -27.42 68.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.562 ' CE1' HG22 ' A' ' 44' ' ' ILE . 1.3 m80 -73.73 -42.13 61.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.549 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.453 HD13 ' CG2' ' A' ' 73' ' ' ILE . 32.7 mt -53.86 -53.95 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' GLU . 38.1 mt-30 -49.98 -45.47 51.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' GLN . 12.9 tptt -39.53 -31.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.505 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 17.1 mm-40 -95.75 -39.32 9.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -61.48 -59.93 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.343 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.492 0.186 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' GLU . 3.8 t -78.66 156.48 29.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 68' ' ' LYS . 7.7 mt-10 -37.87 -55.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.464 ' CA ' ' HE3' ' A' ' 113' ' ' LYS . 55.8 mt-10 -49.07 -52.76 23.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -55.71 -63.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -56.39 -19.02 12.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -80.35 -30.05 37.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 70' ' ' ILE . 1.1 m -88.39 -45.93 9.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.448 ' CG2' HD23 ' A' ' 49' ' ' LEU . 92.5 mt -40.67 -57.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -48.67 -52.75 19.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.563 1.165 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -44.54 -52.09 8.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.453 ' CG2' HD13 ' A' ' 49' ' ' LEU . 25.7 mt -48.21 -52.74 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -53.12 -57.13 11.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.452 ' O ' HD11 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -37.35 -61.67 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.436 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 93' ' ' PHE . 1.8 m -41.83 -50.3 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 108.289 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.474 HD13 ' CB ' ' A' ' 46' ' ' ALA . 15.0 mt -44.5 -50.4 9.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -49.14 -28.08 4.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.516 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 2.3 mp -78.24 -60.3 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 9.6 tpt85 -45.95 -67.97 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.462 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 85.2 p -41.33 -70.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.402 ' N ' ' OG ' ' A' ' 81' ' ' SER . . . -42.3 -41.22 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 80' ' ' ARG . . . -47.03 -54.6 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.404 HD22 ' O ' ' A' ' 81' ' ' SER . 2.1 mm? -55.24 -60.65 3.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.462 ' NE2' ' C ' ' A' ' 81' ' ' SER . 3.0 mt-30 -50.29 -49.9 52.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 97' ' ' ASP . 1.4 t80 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.492 0.187 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.43 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -63.09 -170.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' LEU . 2.2 mt -85.04 -57.14 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -47.3 -23.43 0.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.573 ' HB3' ' CE1' ' A' ' 93' ' ' PHE . 37.3 m-20 -86.31 -37.57 18.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.54 HD23 ' CE1' ' A' ' 42' ' ' TYR . 1.9 tp -70.87 -47.91 56.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -14.56 38.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -76.23 -2.33 30.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.439 HD23 ' CE2' ' A' ' 115' ' ' PHE . 83.1 mt -103.66 -1.65 27.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -66.11 -52.55 38.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -74.97 -29.54 8.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.575 HG23 ' CE2' ' A' ' 111' ' ' TYR . 43.7 mt -63.1 -32.85 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.478 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 2.5 mt -87.14 -35.98 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.475 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -68.47 -42.97 77.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' A' ' 111' ' ' TYR . 20.1 m-80 -101.71 27.75 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -44.61 -46.54 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.7 mt -55.25 -63.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 t -107.62 57.46 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.575 ' CE2' HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -97.47 -21.35 17.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 62.25 125.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.534 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -57.36 -164.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 0.9 OUTLIER 82.65 45.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.289 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.439 ' CE2' HD23 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -37.95 143.43 0.4 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.418 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -74.95 -9.38 20.82 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -128.55 162.58 26.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.69 87.87 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.451 ' HB ' ' CG2' ' A' ' 75' ' ' THR . 2.7 m -130.83 130.62 64.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -79.52 142.57 58.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.55 38.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.536 1.808 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 74' ' ' ALA . 2.9 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.2 p -141.94 -60.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -54.43 -61.07 2.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.08 -93.89 0.55 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -117.72 143.14 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 109.967 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.13 139.09 58.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.19 -108.88 1.07 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -155.82 109.16 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.04 -70.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 169.93 -31.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 m -70.09 -32.26 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.558 ' CG2' ' CZ ' ' A' ' 62' ' ' PHE . 13.6 m -59.9 -30.16 68.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -35.47 70.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 t -67.85 -27.48 66.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.567 HD11 ' CZ2' ' A' ' 19' ' ' TRP . 2.8 mt -68.49 -64.68 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.7 mt -41.23 -28.72 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' N ' ' C ' ' A' ' 15' ' ' LEU . 2.6 mm-40 -73.31 -68.9 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -51.96 -33.39 37.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.567 ' CZ2' HD11 ' A' ' 15' ' ' LEU . 6.5 m0 -67.87 -64.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.36 -22.05 9.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.08 -28.11 54.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -58.96 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 102' ' ' GLU . 50.7 tp -52.65 -55.78 20.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.11 -47.32 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.475 ' CG ' ' OD2' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -73.25 -55.43 6.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -37.97 -29.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . -83.2 -50.21 8.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 0.741 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.475 ' OD2' ' CG ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -40.26 -42.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -62.53 -54.3 41.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.51 -65.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.2 -64.29 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.416 ' CZ3' ' OD1' ' A' ' 28' ' ' ASP . 13.1 m0 -51.35 -74.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.3 43.26 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.403 ' NE2' ' OE1' ' A' ' 37' ' ' GLU . 8.4 mm100 -117.24 63.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.9 mt -54.12 -53.78 48.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.7 t -44.88 -69.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' OE1' ' NE2' ' A' ' 34' ' ' GLN . 3.6 mt-10 -49.9 -43.8 49.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.97 -64.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.5 mt -40.88 -59.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.09 -61.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -45.32 -60.41 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.521 ' CZ ' HD22 ' A' ' 98' ' ' LEU . 18.0 m-85 -50.89 -60.93 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -48.5 -64.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.603 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.1 mp -42.04 -54.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.6 tp -58.59 -41.65 86.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' CB ' HD12 ' A' ' 77' ' ' LEU . . . -60.47 -52.11 66.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -44.62 57.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 10.2 m170 -61.74 -47.67 84.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.595 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.47 HD21 ' CG2' ' A' ' 70' ' ' ILE . 17.0 mt -48.07 -40.15 22.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.483 ' NE2' ' CB ' ' A' ' 74' ' ' ALA . 20.5 mm-40 -72.39 -51.51 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -29.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 50' ' ' GLN . 17.9 mm-40 -94.93 -34.32 12.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -70.61 -64.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -66.72 -35.07 79.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 57.74 173.85 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -95.7 -49.26 5.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.436 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 71.5 m-70 -120.02 48.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.626 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 57' ' ' HIS . 1.0 OUTLIER 40.88 32.69 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -82.57 -79.04 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 m 65.26 112.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.29 -16.42 21.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.558 ' CZ ' ' CG2' ' A' ' 12' ' ' THR . 26.7 m-85 -103.53 161.8 13.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 64' ' ' GLU . 8.2 t -65.2 -165.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.492 ' N ' ' OG1' ' A' ' 63' ' ' THR . 5.0 mt-10 -85.95 -38.21 18.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 66' ' ' GLN . 1.4 pt-20 -68.3 -25.16 64.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.436 ' CG ' HG22 ' A' ' 63' ' ' THR . 65.9 mt-30 -79.72 -68.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -39.9 -41.95 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mmpp? -42.64 -64.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.628 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.9 m -55.85 -49.82 72.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.47 ' CG2' HD21 ' A' ' 49' ' ' LEU . 60.7 mt -49.55 -52.12 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.92 -16.74 59.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' THR . 19.6 mttt -90.65 -55.63 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.471 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 63.1 mt -37.53 -42.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.37 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.483 ' CB ' ' NE2' ' A' ' 50' ' ' GLN . . . -54.22 -56.11 21.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' LYS . 23.3 m -37.66 -58.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.458 ' HB3' ' CE2' ' A' ' 93' ' ' PHE . 84.9 m -47.72 -53.24 15.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.296 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.473 HD12 ' CB ' ' A' ' 46' ' ' ALA . 13.9 mt -46.87 -58.78 3.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -42.78 -27.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.475 HD12 ' CD1' ' A' ' 93' ' ' PHE . 29.1 mt -81.09 -50.73 9.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.436 ' HG2' ' CE2' ' A' ' 42' ' ' TYR . 15.0 tpt85 -53.84 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.4 m -44.78 -52.41 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.0 -50.2 74.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.61 -40.32 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.6 mt -67.42 -53.84 25.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -57.23 -50.68 72.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.19 135.96 4.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.5 m -112.62 -57.07 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.95 74.52 9.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.7 p -179.7 172.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 177.92 56.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -155.56 23.96 0.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -92.49 -147.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.475 ' CD1' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -81.28 145.35 30.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 111.061 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.469 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -106.4 -169.72 1.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 98' ' ' LEU . 2.6 mt -77.99 -56.56 4.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 9.1 pt-20 -47.85 -46.19 30.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -64.28 -26.99 68.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.521 HD22 ' CZ ' ' A' ' 42' ' ' TYR . 1.5 tp -81.18 -49.86 10.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -13.54 32.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -67.82 -9.46 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.244 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.6 mt -99.67 -19.38 16.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.502 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -47.51 -51.26 45.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.02 -49.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' PRO . 16.2 mt -40.13 -63.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.473 ' HA ' ' CG1' ' A' ' 108' ' ' ILE . 0.6 OUTLIER -39.69 -50.55 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -47.19 78.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -87.34 40.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.473 ' CG1' ' HA ' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -73.94 -45.34 49.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.29 -39.85 94.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.2 t -98.96 47.74 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.4 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.63 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 67.0 t80 -110.59 107.18 16.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 113' ' ' LYS . 1.2 t30 -88.64 48.94 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.63 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 4.4 mptp? 44.17 -168.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 2.7 tt0 84.36 51.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.605 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -52.76 139.91 40.17 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.04 2.54 6.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.434 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 55.3 m-85 -135.71 165.18 26.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 111.062 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -98.53 86.42 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 15.6 m -135.9 120.37 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.21 151.46 83.63 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.38 4.89 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.93 120.6 13.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.54 163.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 119.67 144.7 7.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.2 5.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 26.1 p -112.39 159.96 18.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.33 107.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 p -164.93 135.24 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.729 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 m -79.17 114.97 18.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.04 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.37 -138.63 2.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.55 96.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.32 155.87 33.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.04 153.99 30.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.469 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 2.4 ttm -53.31 98.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -139.21 75.36 1.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.972 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 65.48 -72.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' SER . 20.0 t -47.55 -68.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.545 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 3.7 m -51.84 -45.68 64.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -45.49 -45.12 13.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -56.34 -33.08 65.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.576 HD21 ' CH2' ' A' ' 19' ' ' TRP . 7.0 tp -68.69 -70.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.4 mt -40.05 -29.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' LEU . 2.8 mt-30 -79.45 -65.72 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -47.91 -32.65 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.635 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 5.7 m0 -69.5 -63.5 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.5 -22.9 4.15 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.42 -32.36 68.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.747 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m -68.47 -65.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.495 ' CD1' ' CD1' ' A' ' 98' ' ' LEU . 22.3 tp -46.24 -54.94 7.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.63 -55.36 7.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -61.18 -50.48 72.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.59 -29.0 2.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.03 -48.72 12.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.53 -43.11 35.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -65.31 -50.97 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.3 OUTLIER -53.49 -61.49 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' ASP . 1.0 OUTLIER -38.2 -69.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -48.03 -70.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 108.012 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.49 43.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.118 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -113.88 72.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 110.347 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.7 mt -62.19 -53.75 50.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -46.21 -66.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.15 -42.42 69.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.72 -57.27 12.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.2 mt -45.8 -64.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.26 -52.54 12.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -47.98 -54.66 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.432 ' O ' ' CD1' ' A' ' 77' ' ' LEU . 19.1 m-85 -62.94 -49.31 75.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' ALA . 69.8 mt-30 -53.28 -61.58 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.529 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.1 mp -40.65 -60.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.635 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 25.1 tp -53.53 -40.58 65.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.464 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -60.75 -50.89 71.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.88 -42.84 76.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 10.1 m170 -62.86 -47.98 81.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.7 mt -49.99 -46.56 52.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' ALA . 46.3 mt-30 -57.15 -53.18 61.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -43.19 -27.81 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 50' ' ' GLN . 36.0 mm-40 -94.93 -34.71 12.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -69.47 -50.58 44.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -101.04 45.54 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 51' ' ' LYS . . . -101.0 -47.1 4.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 69.93 -82.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.71 68.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -136.57 -54.95 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.89 92.29 1.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.5 p 174.6 153.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.983 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -130.26 46.98 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.545 ' CZ ' HG22 ' A' ' 12' ' ' THR . 59.7 m-85 -129.96 173.16 10.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 t -99.03 161.05 13.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -43.26 -54.87 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.435 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 32.3 mt-10 -45.24 -51.09 11.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -59.99 -68.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -46.43 -32.89 3.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' CG ' ' HE2' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -60.88 -56.71 17.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.56 -45.87 81.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.5 mt -41.22 -39.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.04 -59.76 7.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 0.9 OUTLIER -40.87 -43.57 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.474 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 35.0 mt -52.35 -55.94 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -52.71 -55.11 25.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.419 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 1.1 m -38.7 -52.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.602 ' SG ' ' CZ ' ' A' ' 93' ' ' PHE . 94.1 m -54.02 -55.93 22.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 108.237 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.464 HD11 ' CB ' ' A' ' 46' ' ' ALA . 8.0 mt -38.23 -62.34 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -39.64 -44.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -65.54 -52.34 53.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -53.23 -56.54 15.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.7 m -49.38 -62.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' ALA . . . -51.73 -50.21 61.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' ALA . . . -39.96 -38.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 mt -70.86 -53.0 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -53.78 -39.58 65.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.42 162.23 29.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.0 m -59.23 96.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 61.61 -89.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.2 103.58 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -64.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.353 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -169.54 33.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -92.87 -146.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.602 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -82.31 152.5 26.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 -169.13 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.409 ' CD2' HD23 ' A' ' 98' ' ' LEU . 1.8 mt -80.87 -51.92 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.49 -52.86 43.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 37.4 m-20 -61.25 -24.28 66.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.495 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 1.8 tp -79.9 -49.98 11.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.252 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -16.39 38.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -72.59 -7.02 48.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.8 mt -97.53 -4.73 37.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -68.67 -51.18 22.28 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.04 -31.52 6.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 70.0 mt -59.18 -45.05 93.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.474 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 0.4 OUTLIER -67.84 -33.28 74.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -52.95 15.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 111' ' ' TYR . 44.7 m-80 -92.41 26.14 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -44.9 -45.03 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 8' ' ' MET . 1.3 mt -68.82 -55.88 9.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.447 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 3.2 t -91.74 46.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.492 ' CB ' ' O ' ' A' ' 107' ' ' ASN . 0.1 OUTLIER -113.55 129.47 56.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -70.1 129.88 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.435 ' CE ' ' HA ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -63.66 -174.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 70.8 70.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.552 ' CD2' ' CG2' ' A' ' 119' ' ' VAL . 0.3 OUTLIER -37.26 147.14 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.543 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.5 Cg_endo -74.95 -35.0 3.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 97' ' ' ASP . 20.0 m-85 -98.57 151.39 20.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.51 92.82 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.552 ' CG2' ' CD2' ' A' ' 115' ' ' PHE . 4.0 m -147.67 127.84 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.4 160.08 40.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.08 23.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.419 ' CD1' ' OG1' ' A' ' 75' ' ' THR . 3.5 mt -82.37 132.4 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 89.7 p -158.55 150.26 21.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -110.33 -177.49 20.85 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.34 2.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.492 1.786 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.82 121.63 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.3 p -108.9 121.01 44.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.438 1.086 . . . . 0.0 110.961 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -158.8 92.4 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -130.24 140.8 50.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.11 159.04 23.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.135 . . . . 0.0 111.042 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 t -130.19 155.73 45.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.59 129.65 16.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.03 144.44 8.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -42.5 147.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 11' ' ' VAL . 6.6 p -157.82 58.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' VAL . 33.8 tt0 65.31 -73.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' SER . 31.7 m -40.46 -54.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.619 ' CG2' ' CZ ' ' A' ' 62' ' ' PHE . 2.6 m -60.63 -45.58 93.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -51.79 -50.27 61.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.406 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -63.35 -32.86 74.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.509 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -50.75 -42.32 57.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.7 mt -52.89 -22.92 6.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' ARG . 26.0 mm-40 -83.23 -73.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.509 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -36.58 -47.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.407 ' CZ2' HD11 ' A' ' 15' ' ' LEU . 11.0 m0 -57.63 -67.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 108.033 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.37 -35.36 20.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.22 90.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -63.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' CD1' ' HG ' ' A' ' 98' ' ' LEU . 49.9 tp -47.39 -58.15 4.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.85 -59.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -58.21 -47.6 82.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.61 -34.11 13.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.37 -42.17 37.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.45 0.736 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -47.58 69.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 48.6 m-85 -60.98 -54.95 38.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.72 -58.5 5.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.23 -65.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -53.05 -66.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.008 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.22 45.82 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -114.96 66.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 mt -52.96 -61.29 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.2 p -40.76 -71.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.598 ' OE1' ' CZ ' ' A' ' 29' ' ' PHE . 1.5 mt-10 -48.33 -46.19 36.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.8 -64.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.0 mt -41.16 -54.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -45.78 -54.53 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -50.74 -69.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.517 ' CZ ' HD22 ' A' ' 98' ' ' LEU . 21.1 m-85 -43.95 -66.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' ALA . 37.2 mt-30 -39.72 -65.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.433 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.1 mp -41.42 -56.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.8 tp -56.33 -40.32 74.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.46 ' CA ' HD11 ' A' ' 77' ' ' LEU . . . -57.83 -50.05 74.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -58.68 -48.55 80.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 11.9 m170 -53.45 -53.37 52.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.57 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD13 ' CG2' ' A' ' 73' ' ' ILE . 60.8 mt -42.2 -48.03 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 53' ' ' ALA . 37.1 mt-30 -58.07 -47.73 82.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -40.15 -31.9 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 50' ' ' GLN . 72.4 mm-40 -95.91 -35.98 11.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -68.73 -66.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.412 ' NE2' ' HG3' ' A' ' 56' ' ' GLN . 4.2 pt20 -63.42 -22.39 66.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 57' ' ' HIS . . . 42.9 74.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' HG3' ' NE2' ' A' ' 54' ' ' GLN . 2.0 mt-30 -44.45 95.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' ALA . 15.7 m170 65.67 59.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 t30 45.56 89.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -150.29 95.91 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.9 p 175.79 145.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -97.25 -1.39 44.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.619 ' CZ ' ' CG2' ' A' ' 12' ' ' THR . 67.8 m-85 -90.46 169.58 10.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.7 t -98.23 164.37 12.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.12 -56.28 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -44.83 -61.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.418 ' CG ' HG21 ' A' ' 108' ' ' ILE . 1.3 mp0 -51.17 -56.65 11.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -47.92 -54.68 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -41.96 -62.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.509 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 0.9 OUTLIER -56.67 -54.96 40.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.8 mt -39.6 -44.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.89 -43.66 49.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 69' ' ' THR . 14.7 mttt -57.82 -31.74 66.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.482 ' CG2' HD13 ' A' ' 49' ' ' LEU . 50.4 mt -64.19 -50.54 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.64 -46.31 73.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.483 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 2.1 m -46.2 -52.69 11.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.37 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 93' ' ' PHE . 69.8 m -53.99 -51.34 64.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 108.256 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.46 HD11 ' CA ' ' A' ' 46' ' ' ALA . 14.9 mt -45.69 -58.97 3.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -43.31 -29.67 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.87 -54.12 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -52.07 -58.74 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.4 m -51.36 -50.84 58.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.91 -48.24 82.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.79 -51.16 7.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 23.3 mt -53.61 -48.77 68.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -60.36 -40.29 90.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 p -48.86 160.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 t -42.78 -35.63 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -174.81 -67.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.57 79.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -62.7 -48.71 78.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 176.99 38.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -90.1 -146.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.595 ' CZ ' ' CG ' ' A' ' 97' ' ' ASP . 1.3 t80 -80.79 153.06 27.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.437 ' CD ' ' CG ' ' A' ' 96' ' ' GLU . 1.5 ptpt -110.64 -169.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.429 ' CD2' HD23 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -83.85 -50.54 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.437 ' CG ' ' CD ' ' A' ' 94' ' ' LYS . 10.5 pt-20 -47.93 -52.95 17.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.615 ' OD1' ' CE2' ' A' ' 117' ' ' PHE . 20.4 t0 -55.43 -37.57 67.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.517 HD22 ' CZ ' ' A' ' 42' ' ' TYR . 3.2 tp -69.22 -61.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -20.19 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -68.46 -10.99 59.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 50.7 mt -97.28 -7.96 30.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.537 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -63.61 -49.76 75.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.03 -41.72 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 108' ' ' ILE . 7.5 mt -51.84 -46.11 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.479 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 0.4 OUTLIER -59.35 -33.53 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -78.82 -40.58 32.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -89.35 16.35 7.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.4 OUTLIER -50.32 -50.74 20.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.7 mt -57.68 -53.69 55.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.5 t -86.65 44.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.621 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 50.3 t80 -105.34 115.0 29.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 113' ' ' LYS . 34.0 m120 -88.74 44.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.621 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 4.2 mttt 44.32 -166.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 73.45 76.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.401 ' CE2' HG22 ' A' ' 119' ' ' VAL . 0.9 OUTLIER -58.86 146.01 77.26 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.07 19.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.615 ' CE2' ' OD1' ' A' ' 97' ' ' ASP . 70.1 m-85 -120.88 177.7 5.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -106.18 94.29 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.453 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 18.8 m -139.0 131.96 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.88 145.1 73.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.74 34.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.483 ' CD1' ' OG1' ' A' ' 75' ' ' THR . 4.7 mt -98.75 132.14 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.04 163.81 28.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -103.42 -145.03 14.44 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.486 1.116 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 78.35 2.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.28 123.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.961 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.51 171.55 13.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 m -82.33 127.9 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -171.58 -60.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.65 -112.53 0.57 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.56 131.59 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m 63.47 145.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.45 95.47 1.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -45.98 77.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 11' ' ' VAL . 67.1 m 65.62 32.47 9.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.016 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' VAL . 24.6 tt0 67.57 -59.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 9' ' ' SER . 5.0 m -37.76 -61.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -62.94 -50.49 70.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -46.96 -42.25 17.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -36.66 50.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.557 HD21 ' CH2' ' A' ' 19' ' ' TRP . 8.5 tp -67.42 -66.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.461 HD23 ' CG2' ' A' ' 108' ' ' ILE . 72.9 mt -42.3 -28.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' N ' ' C ' ' A' ' 15' ' ' LEU . 21.7 mm-40 -80.5 -68.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.495 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -44.55 -34.75 2.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.557 ' CH2' HD21 ' A' ' 15' ' ' LEU . 4.6 m0 -64.91 -60.98 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 108.011 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.67 -35.35 62.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.71 73.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.8 m -66.81 -62.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.3 tp -49.5 -58.48 5.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.425 ' NE ' ' OE2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -42.88 -60.93 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -53.5 -34.0 56.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.5 -30.68 78.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.82 -28.34 55.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -49.1 77.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CE1' ' OE1' ' A' ' 37' ' ' GLU . 27.9 m-85 -61.35 -52.37 64.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -45.31 -61.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.64 -72.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 3.2 m0 -48.53 -72.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 107.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 152.41 43.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.49 ' CB ' ' HB3' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -108.5 49.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.323 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mt -42.52 -52.2 4.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -40.68 -72.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.604 ' OE1' ' CE1' ' A' ' 29' ' ' PHE . 12.5 mt-10 -51.11 -40.65 58.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.37 -54.78 31.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.2 mt -54.69 -47.35 73.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.482 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -55.16 -56.2 22.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -49.76 -66.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.514 ' CZ ' HD22 ' A' ' 98' ' ' LEU . 21.5 m-85 -45.21 -64.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 46' ' ' ALA . 62.7 mt-30 -41.74 -64.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -41.36 -62.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.536 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 14.8 tp -51.14 -39.16 55.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.472 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -58.79 -48.93 79.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -58.51 -46.92 85.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.445 ' CD2' HG21 ' A' ' 44' ' ' ILE . 92.4 m-70 -55.33 -54.61 41.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.476 ' CD1' HG23 ' A' ' 73' ' ' ILE . 49.0 mt -40.63 -42.13 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' ALA . 71.0 mt-30 -63.15 -51.29 67.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.87 -31.41 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 50' ' ' GLN . 8.7 mm-40 -96.02 -34.52 11.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -68.48 -58.97 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 50' ' ' GLN . 7.3 pt20 -83.22 49.44 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.26 -65.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.35 167.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -40.15 100.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.563 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.2 t30 176.67 -47.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -166.23 100.14 0.62 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.7 m -167.05 153.07 7.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.04 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -114.91 -34.59 5.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -77.62 167.23 21.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.8 t -86.19 165.35 16.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -47.23 -44.13 22.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 68' ' ' LYS . 49.0 mt-10 -59.26 -66.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -38.19 -62.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.345 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -51.96 -40.7 61.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -45.15 -48.82 12.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER -68.81 -46.68 68.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.354 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.433 ' CG2' ' O ' ' A' ' 49' ' ' LEU . 18.3 mt -39.32 -50.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.18 -49.42 46.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -49.51 -34.49 17.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.476 HG23 ' CD1' ' A' ' 49' ' ' LEU . 77.0 mt -63.64 -54.91 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.63 -49.39 19.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.1 m -46.25 -54.42 8.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 93.1 m -52.12 -52.03 54.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 46' ' ' ALA . 11.0 mt -44.63 -61.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -40.58 -32.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.7 mt -74.76 -56.8 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.408 ' NH2' HD21 ' A' ' 84' ' ' LEU . 23.1 tpt180 -50.18 -66.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.6 m -40.22 -58.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 85' ' ' GLN . . . -55.18 -52.47 63.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -40.77 -35.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.408 HD21 ' NH2' ' A' ' 80' ' ' ARG . 22.7 mt -73.11 -51.11 19.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 82' ' ' ALA . 11.9 mt-30 -59.72 -53.04 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.1 134.25 52.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.8 m -144.09 112.44 6.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.44 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.53 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 91' ' ' GLU . 67.8 p -159.1 80.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.62 93.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 89' ' ' SER . 2.4 tt0 -136.19 9.86 3.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.49 -148.09 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.127 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.581 ' CZ ' ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -74.14 145.89 43.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.467 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -107.08 -170.15 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.413 ' CD1' HD23 ' A' ' 98' ' ' LEU . 24.2 tp -79.11 -54.28 6.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.467 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 10.1 pt-20 -49.79 -44.08 48.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.46 ' HB3' ' CE1' ' A' ' 117' ' ' PHE . 74.7 m-20 -66.15 -26.24 67.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.514 HD22 ' CZ ' ' A' ' 42' ' ' TYR . 1.8 tp -78.08 -46.65 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.28 -13.1 47.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -70.52 -7.43 43.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 60.6 mt -102.67 -7.07 22.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -63.05 -50.31 77.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -74.96 -35.55 3.11 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 64.6 mt -57.14 -44.28 83.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.411 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 4.5 mt -71.77 -35.34 70.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -67.25 -53.58 28.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 111' ' ' TYR . 32.0 m-80 -92.02 31.34 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.461 ' CG2' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -48.39 -42.65 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.43 -48.73 71.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 t -109.2 55.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.531 ' CE1' ' HA ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -107.08 140.19 40.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -73.12 118.12 15.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.531 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -63.45 -167.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.8 tt0 84.68 -45.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.4 OUTLIER 65.71 137.55 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.01 -46.1 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.581 ' CE1' ' CZ ' ' A' ' 93' ' ' PHE . 94.0 m-85 -77.67 135.82 38.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -74.06 66.46 1.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.8 m -121.27 141.57 41.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -98.84 167.55 11.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.83 14.79 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.4 mt -73.32 125.61 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 96.6 p -152.46 159.23 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.967 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -83.52 -120.97 0.77 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -36.51 2.52 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.3 m -86.61 108.35 18.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.12 121.43 27.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.535 1.147 . . . . 0.0 110.948 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 p -137.37 100.26 4.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -140.39 147.06 39.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.74 -137.24 2.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -48.5 142.86 5.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.61 86.0 7.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.07 -137.66 2.43 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 ttm -66.35 135.68 54.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -142.27 62.99 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.014 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 64.81 -75.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 9' ' ' SER . 21.7 m -41.06 -43.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.5 ' CG2' ' CZ ' ' A' ' 62' ' ' PHE . 67.7 m -56.0 -50.39 70.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.18 -36.43 63.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m -72.81 -26.57 61.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.565 HD12 ' CZ2' ' A' ' 19' ' ' TRP . 4.3 mt -71.29 -62.64 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 109' ' ' LEU . 33.3 mt -43.95 -27.08 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' A' ' 15' ' ' LEU . 7.3 mm100 -85.47 -70.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.488 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -42.81 -34.84 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.565 ' CZ2' HD12 ' A' ' 15' ' ' LEU . 8.5 m0 -66.99 -67.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 107.968 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.41 -33.29 3.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.77 99.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' TRP . 26.0 m -58.9 -65.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' CD1' ' CD1' ' A' ' 98' ' ' LEU . 36.0 tp -43.39 -58.53 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -44.3 -64.11 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -51.93 -51.16 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.263 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.27 -28.88 1.51 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.12 -50.32 10.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -43.21 -47.93 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -62.38 -60.36 3.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -46.78 -59.01 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -39.01 -73.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.951 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -46.16 -72.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.056 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.57 43.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 12.0 mm100 -112.67 73.6 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.49 -50.89 67.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.1 t -50.15 -68.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -41.1 64.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 34' ' ' GLN . . . -56.68 -64.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.433 HG13 ' CD1' ' A' ' 84' ' ' LEU . 4.8 mt -41.95 -59.47 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.3 OUTLIER -41.75 -55.5 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -48.54 -69.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.519 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 19.9 m-85 -43.85 -67.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' ALA . 45.6 mt-30 -39.08 -64.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.444 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -41.63 -61.94 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.537 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 16.0 tp -51.22 -35.93 39.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' CB ' HD12 ' A' ' 77' ' ' LEU . . . -62.57 -48.6 78.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -49.85 74.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.424 ' CD2' HG23 ' A' ' 44' ' ' ILE . 94.7 m-70 -52.98 -55.22 25.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.459 ' CD2' HG23 ' A' ' 70' ' ' ILE . 68.1 mt -41.0 -56.64 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.467 ' OE1' ' CG2' ' A' ' 122' ' ' ILE . 30.0 mt-30 -47.17 -49.04 23.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.72 -29.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.544 ' OE1' ' CD1' ' A' ' 62' ' ' PHE . 2.5 mt-10 -94.79 -38.66 10.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -64.04 -49.55 71.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -93.77 42.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.52 66.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -59.05 -67.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -139.3 67.61 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.643 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -141.39 -47.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -162.34 -169.25 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 73.82 137.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -116.12 27.67 9.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.544 ' CD1' ' OE1' ' A' ' 52' ' ' GLU . 9.8 m-85 -97.68 143.13 28.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 t -65.42 179.15 0.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -68.18 -38.61 82.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' CA ' ' HE2' ' A' ' 113' ' ' LYS . 0.7 OUTLIER -62.73 -41.12 99.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -68.12 -55.79 11.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -49.1 -52.62 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -43.52 -58.6 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.601 ' OG1' ' CE1' ' A' ' 111' ' ' TYR . 2.5 m -57.06 -52.46 65.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.459 HG23 ' CD2' ' A' ' 49' ' ' LEU . 71.1 mt -41.37 -47.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.55 -39.89 94.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 3.0 mttt -61.81 -31.07 71.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.448 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 89.5 mt -66.69 -53.22 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -50.42 -52.27 39.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.404 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 1.2 m -38.77 -59.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.547 ' SG ' ' CZ ' ' A' ' 93' ' ' PHE . 62.3 m -46.97 -57.24 5.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.459 HD12 ' CB ' ' A' ' 46' ' ' ALA . 5.6 mt -37.99 -63.76 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.67 -43.57 2.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.571 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -66.03 -50.97 62.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -58.13 -63.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.0 m -39.99 -55.56 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.33 -50.53 73.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -40.57 -43.08 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.433 ' CD1' HG13 ' A' ' 39' ' ' ILE . 11.1 mt -60.99 -54.14 48.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -52.63 -42.02 64.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.32 160.06 4.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.1 t -89.17 39.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 90' ' ' GLN . 22.7 tt0 77.94 -58.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.7 t -51.31 93.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 88' ' ' GLN . 1.7 mt-30 -173.9 -179.57 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -136.08 46.18 2.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.29 -144.61 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.271 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.547 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -85.95 152.72 22.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.54 -168.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 mt -82.22 -51.39 7.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.49 -48.54 65.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -62.41 -28.94 70.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.519 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 3.6 tp -74.15 -51.92 14.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -57.21 -17.59 12.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -5.24 35.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.5 mt -98.91 -3.01 36.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -67.02 -49.95 44.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.4 Cg_endo -74.99 -33.34 4.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 108' ' ' ILE . 96.8 mt -60.27 -51.38 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.448 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 1.0 OUTLIER -65.13 -32.51 74.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.248 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -70.75 -55.55 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 111' ' ' TYR . 31.8 m-80 -92.47 25.91 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.2 OUTLIER -45.14 -35.27 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.445 ' CD1' HD13 ' A' ' 16' ' ' LEU . 29.4 mt -76.32 -55.19 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -97.35 48.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.601 ' CE1' ' OG1' ' A' ' 69' ' ' THR . 0.0 OUTLIER -107.93 134.47 50.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.26 134.3 49.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.416 ' HE2' ' CA ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -66.11 -171.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 62.33 71.24 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.55 ' CD2' ' CG2' ' A' ' 119' ' ' VAL . 0.2 OUTLIER -37.21 150.48 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.485 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.03 -16.48 20.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -120.48 158.36 27.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -78.02 85.48 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.55 ' CG2' ' CD2' ' A' ' 115' ' ' PHE . 3.7 m -135.58 130.54 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.49 158.31 51.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 127.07 10.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.467 ' CG2' ' OE1' ' A' ' 50' ' ' GLN . 1.2 mp -45.2 139.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 t 62.94 122.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 174.14 -171.83 44.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.9 11.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.4 t -61.43 98.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.3 t -46.46 -58.01 4.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.053 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 p 57.72 169.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.76 . . . . 0.0 110.032 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -144.18 -59.75 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.987 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.73 111.16 4.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.29 117.18 32.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 0.779 . . . . 0.0 109.998 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.59 102.99 7.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.63 74.33 2.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -119.85 118.34 30.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 10' ' ' GLU . 1.5 t -102.85 -38.65 7.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.994 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 9' ' ' SER . 7.3 tt0 159.27 -25.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 m -98.61 -32.08 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.2 m -47.49 -48.31 27.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.423 1.077 . . . . 0.0 110.428 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -37.21 65.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -31.01 71.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.499 HD12 ' CE2' ' A' ' 19' ' ' TRP . 14.8 tp -69.31 -48.34 61.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.434 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 30.1 mt -55.77 -18.64 8.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' ALA . 1.1 mt-30 -86.33 -64.39 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -48.8 -30.46 5.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.552 ' CZ2' ' HG3' ' A' ' 52' ' ' GLU . 2.9 m0 -70.54 -63.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 108.031 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.25 -19.72 47.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 17' ' ' GLN . . . -76.94 -24.57 52.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -77.4 -59.15 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.544 ' CD1' ' CD1' ' A' ' 98' ' ' LEU . 32.8 tp -53.94 -59.16 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -40.33 -52.86 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -61.79 -48.4 80.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.538 ' HA3' ' CE1' ' A' ' 42' ' ' TYR . . . -45.01 -30.39 2.46 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.468 ' CB ' ' HD2' ' A' ' 99' ' ' LYS . . . -79.73 -44.17 21.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 32' ' ' TRP . 1.2 m-20 -54.57 -35.08 62.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -73.11 -54.92 7.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -50.32 -58.69 5.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -38.95 -67.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.0 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CD2' ' O ' ' A' ' 28' ' ' ASP . 9.8 m0 -51.47 -71.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.25 43.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -113.04 71.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.42 -51.27 70.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -48.56 -68.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.48 -38.25 63.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.8 -57.23 13.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.6 mt -53.02 -60.45 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.09 -54.33 10.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -48.1 -48.45 33.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.54 ' CE1' HD21 ' A' ' 98' ' ' LEU . 20.4 m-85 -66.95 -63.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -42.8 -61.6 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.58 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.3 mp -41.45 -54.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.523 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 7.0 tp -61.82 -42.79 99.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.467 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -53.75 -45.98 70.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -63.04 -43.4 98.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 16.1 m170 -58.71 -51.68 68.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.5 mt -42.71 -40.93 2.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' ALA . 10.4 mt-30 -63.25 -52.47 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -29.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.552 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 11.9 mm-40 -96.34 -29.98 13.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -76.74 -64.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' GLN . 4.9 pt20 -73.44 -37.99 65.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 54' ' ' GLN . . . 37.93 86.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -89.61 20.83 3.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.33 -58.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.601 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' SER . 25.8 p-10 -81.92 61.65 5.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 58' ' ' ASN . 0.8 OUTLIER -39.29 97.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 58' ' ' ASN . 45.7 p -45.35 138.98 3.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.08 47.27 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -126.22 148.24 49.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 111.059 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.467 ' CG2' ' HG3' ' A' ' 66' ' ' GLN . 1.7 t -65.55 174.65 2.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.375 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.439 ' N ' ' OG1' ' A' ' 63' ' ' THR . 2.4 tt0 -63.05 -52.58 62.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -53.67 -22.52 9.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.467 ' HG3' ' CG2' ' A' ' 63' ' ' THR . 79.7 mt-30 -80.38 -68.79 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -44.83 -41.78 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -48.37 -48.33 36.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.621 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.2 m -73.2 -54.85 7.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.406 HG21 ' CH2' ' A' ' 19' ' ' TRP . 86.9 mt -41.43 -49.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.38 -40.69 94.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -61.52 -40.88 96.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.456 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 97.1 mt -50.55 -52.86 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -53.44 -55.79 22.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' ALA . 0.9 OUTLIER -38.29 -53.5 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 110.381 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 93' ' ' PHE . 92.1 m -52.61 -52.06 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 108.288 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 46' ' ' ALA . 14.8 mt -44.13 -59.45 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -42.45 -27.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.481 HD12 ' CD1' ' A' ' 93' ' ' PHE . 23.1 mt -79.88 -55.62 4.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -52.35 -60.31 3.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.9 m -44.01 -59.52 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.047 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.51 -51.31 65.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.22 -38.08 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.8 -53.47 18.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -55.49 -39.51 70.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.71 162.88 7.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.0 t -75.88 156.44 34.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.53 90.26 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.9 t -179.85 -46.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.12 171.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -128.5 61.29 1.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -91.95 -147.53 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -73.37 145.34 45.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -108.75 -169.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.0 tp -79.93 -54.35 5.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 0.6 OUTLIER -51.16 -31.97 21.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 96' ' ' GLU . 65.0 m-20 -78.82 -28.53 44.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.544 ' CD1' ' CD1' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -79.06 -45.47 20.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.468 ' HD2' ' CB ' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -64.37 -12.19 40.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.465 ' HD2' ' CG ' ' A' ' 116' ' ' PRO . 0.1 OUTLIER -69.1 -10.54 58.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.479 ' CD2' ' CZ ' ' A' ' 115' ' ' PHE . 11.8 mt -104.82 5.62 33.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.535 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -75.1 -49.48 4.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.02 -34.89 3.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 107' ' ' ASN . 14.6 mt -58.13 -61.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.456 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 4.9 mt -42.51 -36.22 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -45.91 32.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' TYR . 2.3 m120 -89.93 33.85 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.438 HD13 ' CG2' ' A' ' 69' ' ' THR . 1.0 OUTLIER -77.54 -32.35 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.434 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 26.3 mt -60.06 -51.13 70.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.481 ' O ' ' O ' ' A' ' 111' ' ' TYR . 9.0 t -91.23 -55.96 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.438 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.621 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 7.1 t80 45.05 -176.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 113' ' ' LYS . 0.7 OUTLIER -168.45 33.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.617 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.5 OUTLIER 39.25 -157.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.81 34.53 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.479 ' CZ ' ' CD2' ' A' ' 101' ' ' LEU . 0.5 OUTLIER -39.55 147.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.536 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.5 Cg_endo -74.98 -2.13 12.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.536 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 46.0 m-85 -133.93 147.48 51.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -89.75 52.64 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.2 m -91.35 162.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.18 157.84 33.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 129.75 12.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.7 mt -66.77 115.49 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 67.01 92.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -79.61 178.15 53.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 164.15 33.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.88 134.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.26 87.08 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.053 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 p 55.71 168.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -53.73 -58.38 7.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.36 -61.15 0.52 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.16 123.92 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 0.753 . . . . 0.0 110.033 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m -70.78 131.23 43.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.04 -114.99 1.0 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.7 58.36 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.03 -179.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -104.23 -38.24 6.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.1 t -77.34 -52.4 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.3 m -50.83 -48.56 59.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -52.34 -57.7 8.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.98 -33.9 11.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.562 HD11 ' CZ2' ' A' ' 19' ' ' TRP . 1.5 mt -70.83 -57.09 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.8 mt -54.66 -19.63 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -93.41 -60.02 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -51.79 -32.48 31.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.562 ' CZ2' HD11 ' A' ' 15' ' ' LEU . 8.4 m0 -67.1 -65.0 0.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.86 -26.49 4.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.55 -41.34 84.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -59.8 -64.21 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 98' ' ' LEU . 24.2 tp -47.85 -55.15 10.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -42.81 -50.31 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.52 -47.01 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.8 -26.09 7.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.42 -40.04 14.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.28 -43.08 87.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 25.1 m-85 -62.87 -57.3 11.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.0 -54.92 11.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -43.04 -70.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -47.05 -72.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 108.018 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.43 43.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.412 ' NE2' ' OE1' ' A' ' 37' ' ' GLU . 14.1 mm100 -115.68 72.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.8 mt -63.75 -52.25 61.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.2 t -50.1 -57.69 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.577 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.8 mt-10 -62.17 -35.42 78.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.09 -63.57 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mt -44.12 -54.84 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -41.92 -53.04 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -52.05 -65.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.458 ' CZ ' HD23 ' A' ' 98' ' ' LEU . 22.3 m-30 -45.96 -62.76 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 46' ' ' ALA . 38.8 mt-30 -45.77 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 mp -41.44 -61.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.3 tp -51.38 -36.3 42.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -63.1 -42.82 99.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -46.13 90.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -57.79 -54.48 46.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 109.627 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 53' ' ' ALA . 93.3 mt -41.8 -46.53 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 53' ' ' ALA . 17.0 mt-30 -59.97 -51.4 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.34 -32.07 1.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -96.69 -26.24 15.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . -79.27 -73.08 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 55' ' ' ALA . 9.9 pt20 -84.52 -38.7 19.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 54' ' ' GLN . . . 63.06 121.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -39.39 -62.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -115.48 -73.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.611 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -167.5 91.91 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -157.16 89.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 73.4 p -166.85 118.8 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -90.15 39.44 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -122.56 162.2 22.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.1 t -98.16 158.06 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 67' ' ' LYS . 16.1 mt-10 -39.91 -40.93 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -62.21 -50.18 72.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.403 ' NE2' ' CD2' ' A' ' 109' ' ' LEU . 31.2 mt-30 -61.8 -65.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.466 ' CG ' ' HA ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -46.17 -45.53 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.416 ' N ' ' HD3' ' A' ' 67' ' ' LYS . 4.7 mmtm -40.1 -66.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.616 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 17.5 m -54.77 -55.66 27.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.448 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' THR . 27.5 mt -38.97 -47.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.36 -43.89 96.19 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' THR . 25.7 mttt -60.96 -46.46 90.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.792 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.477 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 46.0 mt -49.54 -53.46 9.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' THR . . . -51.33 -58.63 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.495 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 1.3 m -38.5 -50.15 1.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 79' ' ' LEU . 99.0 m -55.42 -53.36 57.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 46' ' ' ALA . 10.0 mt -41.94 -62.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -38.99 -33.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 76' ' ' CYS . 23.9 mt -73.14 -57.68 3.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' CG ' ' CE2' ' A' ' 42' ' ' TYR . 29.8 tpt180 -46.73 -67.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.409 ' HB3' ' NE2' ' A' ' 85' ' ' GLN . 68.9 m -44.77 -66.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -43.04 -55.37 3.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.82 -46.5 3.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.72 -54.06 47.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.409 ' NE2' ' HB3' ' A' ' 81' ' ' SER . 9.6 mt-30 -52.57 -47.23 66.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.22 -175.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 88' ' ' GLN . 0.7 OUTLIER -176.22 -168.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.392 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.451 ' N ' ' CG2' ' A' ' 87' ' ' THR . 1.8 mm100 55.82 85.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.74 89.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -91.77 151.14 20.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.29 22.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -88.69 -147.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.82 142.76 46.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -107.72 -169.86 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 98' ' ' LEU . 13.5 tp -78.04 -54.69 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 9.1 pt-20 -48.65 -40.02 26.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 96' ' ' GLU . 55.3 m-20 -72.17 -28.99 63.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -78.06 -50.02 12.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -20.0 4.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -8.98 38.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 98.2 mt -94.78 -3.81 48.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.543 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -71.17 -49.29 12.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.5 Cg_endo -74.99 -29.03 8.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 108' ' ' ILE . 18.3 mt -63.46 -70.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.477 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 4.1 mt -42.62 -32.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -46.52 19.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.453 ' CB ' HG22 ' A' ' 110' ' ' THR . 5.3 m-80 -88.39 22.45 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -51.82 -51.08 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.403 ' CD2' ' NE2' ' A' ' 66' ' ' GLN . 30.8 mt -62.49 -42.65 99.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.453 HG22 ' CB ' ' A' ' 107' ' ' ASN . 1.4 t -96.98 46.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.636 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 45.6 t80 -108.12 120.53 42.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 113' ' ' LYS . 3.3 m-20 -100.13 44.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.636 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.6 OUTLIER 43.44 -166.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 3.9 tt0 82.59 48.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.612 ' CD1' ' OH ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -46.02 143.95 3.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.571 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -74.98 -12.04 21.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 19.8 m-85 -125.25 152.31 44.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -78.57 91.82 4.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 4.4 m -139.3 132.07 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.07 156.67 43.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 132.47 15.47 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.481 1.78 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.495 ' CD1' ' OG1' ' A' ' 75' ' ' THR . 2.3 mt -77.34 130.54 36.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 93.4 p -147.32 161.99 39.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -131.1 171.07 21.14 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 69.31 5.54 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.9 p -134.59 158.72 43.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.08 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.07 134.66 46.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.3 p -106.46 140.06 39.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 0.781 . . . . 0.0 109.967 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.35 86.64 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.949 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.17 -138.87 3.61 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t 53.73 93.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.964 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 p -108.35 153.29 23.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.76 -138.81 4.73 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.487 ' CG ' ' O ' ' A' ' 8' ' ' MET . 0.6 OUTLIER -78.95 65.49 4.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 0.0 111.013 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 m 50.53 -175.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -107.47 -36.4 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.5 t -68.91 -47.77 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.564 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 98.4 m -60.83 -49.72 76.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -54.83 -47.78 73.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 t -59.05 -30.85 68.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.568 HD12 ' CZ2' ' A' ' 19' ' ' TRP . 1.4 mt -64.99 -53.14 50.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.48 -16.17 22.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -92.84 -56.41 3.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.44 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -56.99 -34.15 67.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.568 ' CZ2' HD12 ' A' ' 15' ' ' LEU . 8.0 m0 -64.98 -62.68 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 108.041 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.4 -33.2 24.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.1 50.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.9 m -48.4 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.49 ' CD2' ' HB2' ' A' ' 102' ' ' GLU . 42.3 tp -41.19 -54.21 2.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.58 -61.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.46 ' CG ' ' OD2' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -56.13 -51.89 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.43 -29.0 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . -83.13 -48.76 10.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.46 ' OD2' ' CG ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -46.33 -39.88 10.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -67.01 -62.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.19 -56.44 6.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.88 -58.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -64.39 -49.47 71.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 108.026 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.06 44.31 0.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 9.5 mm100 -111.95 72.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.245 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.28 -51.17 68.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.6 t -47.75 -66.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.3 -43.15 74.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 34' ' ' GLN . . . -54.88 -57.92 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.413 HG21 ' NE2' ' A' ' 85' ' ' GLN . 6.1 mt -45.82 -57.66 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -55.79 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -49.0 -66.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -47.19 -58.87 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 111.026 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 46' ' ' ALA . 46.7 mt-30 -47.41 -66.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.406 HG23 ' CD2' ' A' ' 48' ' ' HIS . 1.3 mp -41.33 -62.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.3 tp -49.1 -36.89 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.466 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -61.32 -52.78 63.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -51.75 -49.32 62.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.406 ' CD2' HG23 ' A' ' 44' ' ' ILE . 94.8 m-70 -52.65 -57.54 9.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 109.625 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.446 ' CD1' ' CG2' ' A' ' 73' ' ' ILE . 24.4 mt -40.34 -47.3 2.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 53' ' ' ALA . 52.5 mt-30 -57.23 -50.76 71.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 2.5 tptt -40.15 -30.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 50' ' ' GLN . 7.1 mm-40 -96.17 -36.35 10.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -67.41 -64.26 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 2.9 pt20 -57.44 -21.98 40.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 51' ' ' LYS . . . -97.38 101.49 13.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -78.42 -62.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -104.7 -58.22 1.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.589 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -42.64 111.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m120 43.54 89.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.0 p 175.05 115.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -105.54 42.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CZ ' HG23 ' A' ' 12' ' ' THR . 60.1 m-85 -126.9 152.57 46.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 64' ' ' GLU . 9.0 t -80.91 158.87 25.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' THR . 2.2 tt0 -39.04 -54.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' GLN . 66.8 mt-10 -52.42 -62.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 65' ' ' GLU . 1.4 mt-30 -38.41 -67.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 64' ' ' GLU . 6.0 ptmm? -51.52 -40.76 60.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.9 -66.24 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.544 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.0 OUTLIER -55.05 -49.98 70.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.8 mt -40.39 -48.52 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.61 -57.71 13.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -41.76 -48.73 4.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.467 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 79.0 mt -47.39 -55.41 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.38 -57.69 7.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.413 HG22 ' CG1' ' A' ' 119' ' ' VAL . 1.0 OUTLIER -40.55 -52.71 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.586 ' SG ' ' CZ ' ' A' ' 93' ' ' PHE . 7.1 m -53.33 -51.2 63.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.326 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 46' ' ' ALA . 15.9 mt -45.54 -58.44 3.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -42.91 -29.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.0 mt -76.37 -48.75 18.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.411 ' NH2' ' HB2' ' A' ' 95' ' ' LEU . 28.0 tpt180 -59.25 -67.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.2 m -40.25 -53.75 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.95 -51.9 66.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.23 -34.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 31.4 mt -72.56 -52.46 15.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.413 ' NE2' HG21 ' A' ' 39' ' ' ILE . 11.3 mt-30 -55.64 -40.25 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.8 104.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.3 t -81.48 -28.92 33.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -86.33 -90.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.0 t -161.17 161.78 31.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER 173.46 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' GLN . 3.6 tt0 38.67 62.76 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.35 -0.44 57.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.586 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.5 OUTLIER 176.81 141.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -105.95 -170.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.492 ' HG ' ' CD ' ' A' ' 99' ' ' LYS . 39.7 tp -80.43 -53.06 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 6.3 pt-20 -50.43 -53.87 26.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.476 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 67.3 m-20 -50.77 -32.91 21.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.484 ' HG ' ' CD1' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -74.87 -47.27 31.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.492 ' CD ' ' HG ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -57.87 -16.58 12.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -75.77 -1.86 27.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.2 mt -102.57 -0.46 32.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 1.2 tt0 -74.35 -51.72 4.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -74.99 -29.16 8.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 111.04 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.88 -42.2 93.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 1.8 mt -73.24 -33.91 65.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -69.53 -52.1 29.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 111' ' ' TYR . 65.4 m-20 -91.99 30.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.39 -49.39 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 29.7 mt -61.05 -47.03 88.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 t -106.29 52.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.544 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 0.7 OUTLIER -111.01 132.22 54.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.36 115.26 11.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.484 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -53.25 -173.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 115' ' ' PHE . 2.9 mt-10 67.19 66.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.343 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.522 ' CD2' ' HD2' ' A' ' 116' ' ' PRO . 0.4 OUTLIER -36.94 149.03 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.522 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.3 Cg_endo -75.04 -26.3 10.98 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.476 ' CZ ' ' CG ' ' A' ' 97' ' ' ASP . 83.0 m-85 -105.15 143.67 33.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.33 80.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.52 ' CG2' ' CD2' ' A' ' 115' ' ' PHE . 9.2 m -136.67 134.55 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -97.13 159.39 31.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 132.28 15.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.426 1.751 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 3.2 mt -65.64 136.48 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.6 m 39.99 90.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -84.26 -172.7 49.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 159.31 41.4 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.79 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.18 135.29 25.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 79.6 p -72.97 144.55 47.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.939 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.938 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.69 170.37 14.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 p -120.97 111.81 17.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.028 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.62 133.03 31.08 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.577 1.173 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.87 86.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 0.731 . . . . 0.0 110.048 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m -69.1 156.99 37.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.037 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.62 -59.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.437 1.085 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.481 ' CG ' ' O ' ' A' ' 8' ' ' MET . 3.5 ttt 54.22 56.61 6.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 0.805 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.411 ' N ' ' HB ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -56.18 166.03 0.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.3 -31.65 14.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.2 m -79.15 -37.1 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.422 ' CG2' ' HA ' ' A' ' 8' ' ' MET . 85.4 m -65.15 -57.01 9.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -52.17 -37.61 55.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -34.83 68.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.561 HD22 ' CH2' ' A' ' 19' ' ' TRP . 7.6 tp -66.68 -67.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' LEU . 90.9 mt -39.74 -29.78 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' LEU . 1.6 tt0 -83.86 -69.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.2 OUTLIER -40.51 -28.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.561 ' CH2' HD22 ' A' ' 15' ' ' LEU . 6.1 m0 -69.98 -66.05 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 107.973 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.53 -35.66 29.69 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.28 -28.19 66.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.97 -43.97 32.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.447 HD22 ' CB ' ' A' ' 102' ' ' GLU . 21.1 tp -69.43 -53.37 19.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -28.29 35.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 -43.59 10.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.23 -18.72 21.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.22 -36.54 19.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . 61.7 m-20 -50.73 -44.06 58.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.529 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 26.1 m-85 -59.08 -60.48 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.6 OUTLIER -43.14 -64.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -39.35 -56.88 1.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.049 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 28' ' ' ASP . 16.5 m0 -61.87 -74.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 156.11 43.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -115.7 63.74 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 0.767 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 mt -52.06 -53.04 46.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -45.28 -67.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.529 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.4 mt-10 -51.1 -43.8 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.73 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.407 ' CG2' ' NE2' ' A' ' 43' ' ' GLN . 11.8 mt -40.53 -68.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.03 -51.21 3.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -50.29 -57.11 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.515 ' CZ ' HD23 ' A' ' 98' ' ' LEU . 21.1 m-85 -58.46 -51.53 69.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.407 ' NE2' ' CG2' ' A' ' 39' ' ' ILE . 84.0 mt-30 -52.83 -59.37 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.589 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.4 mp -44.74 -53.99 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.07 -42.85 91.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.477 ' CB ' HD13 ' A' ' 77' ' ' LEU . . . -58.89 -50.95 72.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -54.01 -47.44 71.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 13.7 m170 -54.37 -52.59 61.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.485 HD11 ' CG2' ' A' ' 73' ' ' ILE . 77.5 mt -40.57 -51.22 2.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.436 ' C ' ' N ' ' A' ' 52' ' ' GLU . 7.4 mt-30 -52.07 -49.11 64.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLN . 3.8 tptt -40.1 -30.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 50' ' ' GLN . 17.4 mm-40 -95.82 -38.02 10.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -66.3 -62.22 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' GLN . 2.8 pt20 -69.8 -26.17 64.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 47.31 84.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.254 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -41.52 107.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.7 m80 51.64 52.59 14.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.589 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 49.43 93.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -157.82 104.99 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t 169.74 141.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 110.016 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -100.04 39.01 1.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -123.59 151.09 43.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.414 ' CG2' ' HG2' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -76.44 156.91 32.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.65 -55.62 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.421 ' O ' ' CE ' ' A' ' 113' ' ' LYS . 7.6 pt-20 -43.38 -42.01 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.415 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 31.0 mt-30 -70.9 -55.82 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -52.59 -44.5 65.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -44.15 71.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.459 ' CG2' HD13 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -74.49 -49.06 23.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.3 mt -39.83 -43.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.45 -55.01 20.0 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.434 1.084 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -47.69 -42.54 25.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.773 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.485 ' CG2' HD11 ' A' ' 49' ' ' LEU . 68.2 mt -51.44 -41.45 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.466 ' HB1' ' CD1' ' A' ' 122' ' ' ILE . . . -67.7 -50.57 56.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ALA . 54.1 m -37.61 -51.27 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.437 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.572 ' SG ' ' CZ ' ' A' ' 93' ' ' PHE . 92.7 m -55.11 -55.4 31.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 108.335 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 46' ' ' ALA . 7.5 mt -38.2 -62.75 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -39.06 -44.44 1.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.572 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -65.12 -49.53 69.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.418 ' NE ' HD23 ' A' ' 84' ' ' LEU . 14.4 tpt180 -57.62 -61.26 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 m -45.02 -49.63 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.25 -51.63 65.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -40.85 -43.94 2.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.418 HD23 ' NE ' ' A' ' 80' ' ' ARG . 17.8 mt -58.79 -52.23 66.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -58.14 -50.51 73.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.25 160.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.4 m -57.33 92.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 68.27 -75.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.7 85.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.041 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.04 -91.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -148.12 38.78 0.9 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.436 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 6.9 mp0 -96.19 -140.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.247 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.572 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -87.88 150.12 23.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.409 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -108.44 -169.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.7 mt -80.99 -51.56 8.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.405 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 8.7 pt-20 -52.04 -46.03 64.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -65.91 -30.49 71.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.515 HD23 ' CZ ' ' A' ' 42' ' ' TYR . 3.4 tp -73.81 -55.13 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -16.88 17.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.91 -8.02 45.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 104' ' ' ILE . 81.0 mt -99.19 -9.52 23.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.537 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.8 OUTLIER -59.31 -49.37 93.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.01 -34.68 3.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.507 HG23 ' CD1' ' A' ' 111' ' ' TYR . 66.9 mt -59.76 -49.1 85.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.437 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 1.6 mt -66.33 -35.05 79.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.15 -57.05 6.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 111' ' ' TYR . 7.1 m-80 -92.54 31.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.459 HD13 ' CG2' ' A' ' 69' ' ' THR . 0.3 OUTLIER -48.5 -32.53 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.05 -55.33 5.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.3 t -98.33 45.78 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 0.3 OUTLIER -105.37 144.27 32.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.958 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.96 113.43 15.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.568 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -60.69 -166.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.7 tm-20 84.18 -44.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.512 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.2 OUTLIER 70.94 137.25 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.512 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.4 Cg_endo -74.98 -44.38 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -79.29 -33.02 43.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.34 90.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 120' ' ' GLN . 3.8 m -127.07 122.55 60.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' VAL . 0.6 OUTLIER -37.92 156.28 0.1 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 149.9 37.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.466 ' CD1' ' HB1' ' A' ' 74' ' ' ALA . 1.2 tp -52.92 131.49 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.8 m 63.54 150.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -85.44 -138.71 4.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -36.94 2.26 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.34 82.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.977 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.9 m 54.39 171.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -104.07 -58.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.997 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.11 144.63 20.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.0 178.07 20.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.8 p -175.56 116.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -56.08 -61.56 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.96 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.45 -92.35 1.9 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.113 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.26 65.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 111.023 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER 59.72 -87.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 9' ' ' SER . 13.0 tt0 167.83 -38.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.63 -39.26 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.424 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 3.9 m -56.79 -45.96 81.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.408 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -39.84 69.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.76 -29.85 70.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.569 HD11 ' CZ2' ' A' ' 19' ' ' TRP . 5.3 mt -70.17 -68.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' LEU . 43.0 mt -40.5 -29.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 15' ' ' LEU . 1.2 tt0 -86.26 -68.07 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -44.09 -34.17 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.569 ' CZ2' HD11 ' A' ' 15' ' ' LEU . 10.0 m0 -68.66 -64.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.79 -25.41 4.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.05 -36.7 61.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 19' ' ' TRP . 0.6 OUTLIER -62.42 -57.76 10.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 HD12 ' CD1' ' A' ' 98' ' ' LEU . 57.7 tp -53.48 -60.58 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.73 -55.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' ASP . 4.2 ttt180 -57.77 -46.87 83.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.13 -32.67 9.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.9 -34.95 59.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.563 ' OD1' ' CZ2' ' A' ' 32' ' ' TRP . 1.8 t0 -51.48 -53.07 41.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' HB3' ' CB ' ' A' ' 34' ' ' GLN . 62.4 m-85 -62.69 -54.17 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -46.57 -60.81 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.26 -72.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.563 ' CZ2' ' OD1' ' A' ' 28' ' ' ASP . 12.1 m0 -47.03 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.38 43.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.516 ' CB ' ' HB3' ' A' ' 29' ' ' PHE . 11.8 mt-30 -111.18 49.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.741 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' GLN . 5.1 mt -39.98 -55.56 2.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.1 p -40.31 -72.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.45 ' CD ' ' NE2' ' A' ' 34' ' ' GLN . 0.7 OUTLIER -50.64 -44.87 57.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -48.55 -64.18 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.414 ' CD1' ' HG3' ' A' ' 85' ' ' GLN . 14.4 mt -45.06 -57.29 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.65 -65.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' CD ' ' C ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER -43.22 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.564 ' CE1' HD22 ' A' ' 98' ' ' LEU . 19.3 m-85 -42.49 -65.24 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' ALA . 29.6 mt-30 -41.87 -67.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.431 HG23 ' CD2' ' A' ' 48' ' ' HIS . 1.1 mp -40.23 -59.7 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 22.7 tp -53.64 -40.02 65.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.46 ' CB ' HD12 ' A' ' 77' ' ' LEU . . . -57.67 -46.6 84.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.24 -52.92 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.431 ' CD2' HG23 ' A' ' 44' ' ' ILE . 95.5 m-70 -48.75 -51.32 29.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' A' ' 73' ' ' ILE . 76.8 mt -44.34 -44.58 8.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 53' ' ' ALA . 14.9 mt-30 -56.89 -50.58 72.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.97 -28.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.587 ' OE1' ' CD1' ' A' ' 62' ' ' PHE . 2.2 mt-10 -96.0 -35.65 11.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -69.84 -59.07 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' GLN . 3.8 pt20 -105.29 42.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.46 95.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.05 -67.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.57 -56.71 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.569 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -109.15 166.96 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -117.74 98.02 6.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.1 p -39.27 156.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -90.88 24.9 2.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.587 ' CD1' ' OE1' ' A' ' 52' ' ' GLU . 27.6 m-85 -109.38 155.32 21.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 64' ' ' GLU . 10.1 t -72.4 -168.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.441 ' N ' ' OG1' ' A' ' 63' ' ' THR . 4.9 mt-10 -82.33 -42.4 18.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -64.95 -22.33 66.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.441 ' CG ' HG23 ' A' ' 63' ' ' THR . 71.6 mt-30 -82.54 -65.87 0.96 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -43.63 3.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -43.59 -64.19 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.447 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.0 OUTLIER -56.02 -50.79 69.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.386 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.8 mt -40.21 -46.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.2 -44.28 67.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -58.3 -34.99 71.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.473 ' CG2' HD12 ' A' ' 49' ' ' LEU . 94.8 mt -57.26 -53.44 43.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -56.02 -55.12 36.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.472 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 2.7 m -38.58 -52.97 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.561 ' HB3' ' CE2' ' A' ' 93' ' ' PHE . 88.9 m -52.83 -49.76 65.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 108.287 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.46 HD12 ' CB ' ' A' ' 46' ' ' ALA . 18.3 mt -46.59 -57.09 5.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.86 -25.82 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.288 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.437 HD12 ' CD1' ' A' ' 93' ' ' PHE . 19.7 mt -81.36 -54.31 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.416 ' NH2' HD12 ' A' ' 95' ' ' LEU . 32.3 tpt180 -56.01 -65.43 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.6 m -41.6 -53.52 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.82 -49.42 77.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.74 -37.84 14.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.18 -49.56 60.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.414 ' HG3' ' CD1' ' A' ' 39' ' ' ILE . 17.7 mt-30 -62.54 -50.48 71.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.0 t -47.82 113.98 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.3 m -71.67 -69.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -39.4 138.52 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.0 t -39.54 104.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.67 152.72 41.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -160.37 71.02 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.97 -1.26 31.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.9 OUTLIER 177.76 96.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.489 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -54.26 -171.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.359 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.475 ' HG ' ' CD ' ' A' ' 99' ' ' LYS . 18.2 tp -80.57 -59.18 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.489 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 12.5 pt-20 -45.64 -44.4 13.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.487 ' CG ' ' CE1' ' A' ' 117' ' ' PHE . 18.7 m-20 -55.49 -35.01 65.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.564 HD22 ' CE1' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -74.67 -51.37 14.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.475 ' CD ' ' HG ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -53.47 -21.21 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 96' ' ' GLU . 11.1 mmtt -69.33 -8.28 44.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.8 mt -98.93 0.41 43.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -73.83 -49.74 5.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -74.99 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.565 HG21 ' CE1' ' A' ' 111' ' ' TYR . 82.2 mt -47.1 -40.74 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.455 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 3.9 mt -69.76 -33.74 72.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' PRO . 22.5 mtmt -73.58 -50.78 19.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 111' ' ' TYR . 59.4 m-80 -90.27 31.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -34.11 39.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.98 -44.21 63.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.9 t -115.18 54.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.565 ' CE1' HG21 ' A' ' 104' ' ' ILE . 1.0 OUTLIER -107.91 135.34 49.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 113' ' ' LYS . 1.2 m-20 -76.91 117.1 18.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.476 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -55.01 -169.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' PHE . 0.4 OUTLIER 67.03 62.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.235 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CD2' ' HD2' ' A' ' 116' ' ' PRO . 0.3 OUTLIER -36.91 148.36 0.19 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.511 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -74.99 -25.23 12.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.487 1.783 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.487 ' CE1' ' CG ' ' A' ' 97' ' ' ASP . 61.5 m-85 -111.52 142.82 43.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.86 90.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.4 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 32.7 m -132.76 138.3 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.27 159.1 48.35 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 142.75 28.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.472 ' CD1' ' OG1' ' A' ' 75' ' ' THR . 0.9 OUTLIER -54.21 145.16 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.47 132.12 4.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -168.03 157.12 29.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 157.4 42.81 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.506 1.793 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.77 123.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.66 110.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.945 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 p -75.83 168.4 20.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 t 62.67 95.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.43 -141.86 7.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -139.77 87.23 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 0.735 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -173.81 133.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.46 -140.08 6.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.1 ttp -102.65 136.89 41.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 111.055 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.18 -175.01 2.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -69.54 -47.62 63.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 110.295 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.1 m -60.5 -39.19 80.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.562 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 31.7 m -61.32 -39.29 89.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.45 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -67.83 -33.42 74.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.2 t -79.04 -23.41 44.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.974 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.53 HD12 ' CH2' ' A' ' 19' ' ' TRP . 1.9 mt -71.43 -57.09 4.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.9 mt -49.61 -26.19 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -84.9 -70.54 0.57 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -41.36 -33.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.532 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 5.9 m0 -68.58 -66.0 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.48 -30.11 8.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -34.27 76.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' TRP . 0.4 OUTLIER -64.88 -61.82 1.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.457 HD22 ' CB ' ' A' ' 102' ' ' GLU . 56.7 tp -51.64 -58.43 6.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -37.87 -47.55 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -65.61 -48.46 72.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -46.94 -28.39 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.0 -37.05 40.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -64.84 -41.0 96.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.585 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 15.7 m-85 -68.02 -56.54 8.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' OD2' ' NH2' ' A' ' 80' ' ' ARG . 10.2 t70 -53.36 -60.5 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -41.47 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.502 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 27.2 m0 -44.68 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 108.051 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.95 43.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -115.37 45.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 34' ' ' GLN . 4.1 mt -36.45 -43.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -54.21 -63.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.585 ' OE1' ' CZ ' ' A' ' 29' ' ' PHE . 6.7 mt-10 -57.57 -36.66 71.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.68 -57.2 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' ASP . 43.6 mt -52.12 -67.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.418 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -40.13 -53.0 2.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.604 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 6.1 tm-20 -49.35 -62.29 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.604 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 20.7 m-85 -53.02 -53.44 50.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -48.7 -60.45 2.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.418 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 1.2 mp -46.02 -61.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.532 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 21.2 tp -50.64 -40.72 53.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.452 ' CA ' HD11 ' A' ' 77' ' ' LEU . . . -59.21 -52.07 67.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -50.88 65.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.401 ' CD2' HG22 ' A' ' 44' ' ' ILE . 91.2 m-70 -52.56 -54.98 25.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.631 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.472 HD11 ' CG2' ' A' ' 73' ' ' ILE . 76.6 mt -40.73 -36.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 53' ' ' ALA . 32.3 mt-30 -69.16 -52.95 22.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -42.0 -28.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 50' ' ' GLN . 57.5 mm-40 -95.86 -35.09 11.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -68.86 -67.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 3.3 pt20 -52.85 -24.6 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.81 176.57 6.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -177.93 -68.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -85.6 -49.59 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.588 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -42.87 -62.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.97 99.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 168.83 118.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.02 43.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.562 ' CZ ' HG22 ' A' ' 12' ' ' THR . 78.1 m-85 -120.94 150.17 41.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' GLU . 8.8 t -83.41 159.38 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' THR . 3.0 mt-10 -38.57 -58.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -46.21 -54.3 9.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -50.91 -68.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -48.11 -29.22 3.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -62.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.583 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.7 m -58.62 -50.58 73.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.5 mt -44.35 -49.23 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.78 -29.92 74.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' THR . 43.2 mttt -72.26 -35.95 68.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.472 ' CG2' HD11 ' A' ' 49' ' ' LEU . 79.4 mt -59.33 -43.91 91.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -55.93 -54.86 39.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.412 ' O ' HD21 ' A' ' 79' ' ' LEU . 1.3 m -37.64 -61.31 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 93' ' ' PHE . 57.7 m -44.62 -59.33 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 76' ' ' CYS . 5.6 mt -35.48 -62.74 0.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 77' ' ' LEU . 1.4 mm-40 -37.67 -49.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.488 ' CD2' ' HA ' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -58.28 -58.26 9.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 83' ' ' ALA . 15.9 tpt180 -50.39 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.352 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.7 m -39.91 -38.76 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.2 -45.31 27.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.463 ' CB ' ' HG3' ' A' ' 92' ' ' GLU . . . -43.34 -45.66 6.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.419 HD21 ' NE ' ' A' ' 80' ' ' ARG . 14.2 mt -60.03 -54.33 47.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -57.99 -51.88 67.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -46.65 149.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.7 t -131.21 -46.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -91.27 -48.09 7.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.11 139.94 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -144.77 88.45 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 168.64 42.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.463 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -121.85 -167.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.2 OUTLIER -71.33 156.8 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 -167.65 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mt -82.61 -43.23 17.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.44 -49.86 75.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.428 ' CG ' ' CE1' ' A' ' 117' ' ' PHE . 84.5 m-20 -61.17 -30.49 70.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.48 HD23 ' CZ ' ' A' ' 42' ' ' TYR . 3.0 tp -74.64 -58.62 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -20.63 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.52 -9.22 47.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.9 mt -98.16 -9.07 26.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.4 OUTLIER -62.59 -50.2 79.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.5 Cg_endo -74.94 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 108' ' ' ILE . 12.4 mt -41.82 -61.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.444 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 1.9 mt -42.97 -38.15 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 103' ' ' PRO . 1.1 mtmt -77.75 -40.3 41.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 104' ' ' ILE . 57.8 m-80 -89.59 23.35 2.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -59.89 -39.16 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.61 -52.38 57.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.7 t -88.31 44.79 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.611 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 33.6 t80 -103.59 116.39 32.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 40.0 p30 -92.07 35.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.611 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 6.1 mttt 53.07 -174.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 3.3 tt0 82.03 80.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.565 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.3 OUTLIER -68.84 140.67 91.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.565 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.5 Cg_endo -74.93 -0.44 9.94 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.428 ' CE1' ' CG ' ' A' ' 97' ' ' ASP . 77.3 m-85 -138.67 146.68 41.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -76.58 93.83 3.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 33.7 m -146.53 114.39 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -71.88 161.27 79.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.61 37.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.45 1.763 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.3 139.39 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.1 m 63.2 133.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.08 -154.28 1.45 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 171.32 18.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.2 t -131.91 105.03 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.12 83.57 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.57 -58.57 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.17 -59.15 0.99 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.7 170.6 29.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.5 p -154.81 125.71 7.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 110.029 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.19 155.71 23.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.09 -123.86 34.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.949 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.64 -178.96 5.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 0.748 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 p -107.07 135.93 47.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.938 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -45.58 -45.07 13.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.4 m -54.72 -42.19 60.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.515 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 7.6 m -68.38 -48.76 63.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -40.24 71.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -70.11 -27.36 64.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.561 HD13 ' CZ2' ' A' ' 19' ' ' TRP . 0.4 OUTLIER -63.32 -47.6 81.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' GLY . 95.2 mt -64.84 -39.86 94.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -49.93 -31.55 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -81.02 -49.71 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.561 ' CZ2' HD13 ' A' ' 15' ' ' LEU . 32.9 m0 -65.74 -13.03 58.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' LEU . . . -98.23 -32.19 6.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.87 -14.0 56.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.733 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.72 -55.62 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.472 HD23 ' CB ' ' A' ' 102' ' ' GLU . 56.3 tp -52.45 -59.24 4.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -41.24 -56.19 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' ASP . 6.2 ttt180 -55.59 -53.88 51.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.31 -44.44 2.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.68 73.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.559 ' CG ' ' CZ2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -41.13 -50.47 3.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 37' ' ' GLU . 94.2 m-85 -60.22 -53.71 54.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.43 -64.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.72 -62.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.559 ' CZ2' ' CG ' ' A' ' 28' ' ' ASP . 15.5 m0 -55.51 -75.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.013 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 154.01 43.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -113.64 59.97 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.3 mt -47.47 -56.51 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -40.96 -72.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -48.49 -40.86 28.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.168 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.58 -59.46 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' ASP . 7.7 mt -46.14 -68.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -39.58 -57.23 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.531 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 10.9 tm-20 -45.34 -63.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.531 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 15.7 m-85 -51.59 -55.85 16.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -50.12 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -40.25 -49.76 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 tp -64.08 -47.13 81.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.476 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -51.7 -47.0 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -49.16 78.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -52.99 -46.1 68.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.58 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.441 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 24.0 mt -52.64 -47.35 67.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' ALA . 33.4 mt-30 -59.91 -49.23 78.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.29 -28.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 15.5 mm-40 -95.87 -36.01 11.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -69.0 -62.46 1.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLN . 8.1 pt20 -94.35 43.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.84 166.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.47 -55.96 1.7 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 54.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.628 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 42.61 59.9 2.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -137.77 99.64 3.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 p -148.41 172.56 14.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.3 -36.7 63.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.515 ' CZ ' HG21 ' A' ' 12' ' ' THR . 88.3 m-85 -84.58 176.71 8.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.2 t -109.34 162.73 14.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -42.55 -42.86 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.254 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' CA ' ' HE3' ' A' ' 113' ' ' LYS . 4.8 mm-40 -55.8 -58.72 6.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -61.13 -50.95 71.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -56.61 -35.61 68.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -56.83 -42.56 79.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.475 ' OG1' ' CE1' ' A' ' 111' ' ' TYR . 0.9 OUTLIER -72.86 -43.23 62.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.441 ' CG2' ' O ' ' A' ' 49' ' ' LEU . 40.2 mt -42.4 -44.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 74' ' ' ALA . . . -63.62 -57.77 13.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -42.69 -40.63 2.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.421 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 69.5 mt -57.99 -50.0 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' THR . . . -56.03 -54.92 39.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' ALA . 1.2 m -37.31 -61.9 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.596 ' SG ' ' CZ ' ' A' ' 93' ' ' PHE . 74.1 m -44.53 -57.15 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 108.261 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.476 HD11 ' CB ' ' A' ' 46' ' ' ALA . 7.4 mt -38.73 -60.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.23 -48.58 3.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.505 HD11 ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.0 -52.42 65.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -57.98 -62.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.3 m -44.65 -47.45 10.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.45 -51.26 61.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.04 -50.34 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.7 mt -54.3 -51.78 63.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -56.06 -52.55 63.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.63 143.01 58.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.52 -64.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.15 -156.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.19 64.37 1.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.008 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.408 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 0.5 OUTLIER -158.25 -55.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 8.0 tt0 80.28 63.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.18 -145.66 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.618 ' CZ ' ' CG ' ' A' ' 97' ' ' ASP . 1.4 t80 -76.86 158.88 30.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.89 -168.45 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.42 ' CD2' HD21 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -92.76 -41.59 10.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -41.78 80.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.23 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.628 ' OD1' ' CE2' ' A' ' 117' ' ' PHE . 59.7 t0 -69.22 -33.53 73.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.51 HD23 ' CZ ' ' A' ' 42' ' ' TYR . 3.4 tp -69.15 -58.14 4.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -21.75 8.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -8.69 51.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.3 mt -98.31 -5.13 33.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.554 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -63.65 -48.71 79.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.0 -46.37 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 90.7 mt -46.51 -38.83 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.421 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 3.9 mt -75.15 -34.28 61.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' PRO . 47.0 mtpt -67.85 -59.05 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 111' ' ' TYR . 83.2 m-20 -88.31 38.53 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.405 ' CG2' ' CE1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -57.54 -47.1 85.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.16 -47.03 86.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 t -109.34 51.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.433 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.52 ' CE1' ' HA ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -104.14 132.49 50.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -72.2 119.08 15.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.52 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -56.65 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 115' ' ' PHE . 1.2 mm-40 63.93 68.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' GLU . 0.3 OUTLIER -36.59 144.42 0.27 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.05 11.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.628 ' CE2' ' OD1' ' A' ' 97' ' ' ASP . 92.3 m-85 -106.75 151.85 24.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -86.83 88.76 7.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 15.5 m -135.55 122.45 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.47 128.29 91.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 158.5 42.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.58 130.66 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.79 137.27 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -108.25 -138.71 8.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.158 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 139.14 24.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.526 1.803 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.33 -61.33 1.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.72 85.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.037 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -128.39 93.06 3.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -148.8 -59.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.995 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.83 -148.88 6.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.441 1.088 . . . . 0.0 111.053 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -138.44 -58.3 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -127.97 112.17 14.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.13 169.7 35.92 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mmt -109.51 -169.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 11' ' ' VAL . 2.3 m -174.44 53.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 66.27 -69.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' SER . 9.8 p -62.79 -50.56 79.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.429 ' N ' ' CG1' ' A' ' 11' ' ' VAL . 66.2 m -43.31 -63.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.413 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -54.78 -31.4 58.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -25.5 60.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' C ' ' N ' ' A' ' 17' ' ' GLN . 6.9 mt -72.84 -68.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 mt -40.56 -29.02 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 15' ' ' LEU . 1.8 tt0 -80.62 -65.08 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.15 -33.31 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.541 ' CZ2' ' HG3' ' A' ' 52' ' ' GLU . 4.4 m0 -68.11 -66.6 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 108.007 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.03 -30.11 2.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.82 84.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' TRP . 3.9 m -51.4 -63.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.528 ' CD2' ' CB ' ' A' ' 102' ' ' GLU . 40.7 tp -48.84 -57.28 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -40.86 -50.99 3.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -46.67 75.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.71 -24.96 34.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.34 -42.67 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.743 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . 7.2 m-20 -54.97 -46.32 75.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 9.7 m-85 -60.52 -54.7 42.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -50.11 -61.11 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -39.13 -67.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.442 ' CZ2' ' HB3' ' A' ' 28' ' ' ASP . 9.9 m0 -47.33 -72.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 107.973 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.18 42.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.103 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -118.15 72.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.47 -51.35 60.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.1 t -51.21 -60.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.57 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.2 mt-10 -56.74 -41.33 77.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.05 -58.97 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 12.3 mt -43.82 -59.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 1.3 t70 -40.52 -51.32 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -52.27 -67.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.529 ' CE1' HD23 ' A' ' 98' ' ' LEU . 22.9 m-85 -45.86 -61.81 1.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -44.34 -62.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.581 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.1 mp -45.35 -50.08 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.517 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 48.2 tp -61.8 -38.47 88.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.466 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -60.55 -49.2 78.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -48.93 79.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 12.3 m170 -53.22 -55.15 26.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.469 HD11 ' CG2' ' A' ' 73' ' ' ILE . 70.7 mt -41.77 -38.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 53' ' ' ALA . 12.0 mt-30 -62.67 -55.25 28.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -41.69 -28.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.541 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 66.3 mm-40 -96.64 -35.08 11.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -66.16 -40.25 90.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -110.75 -63.4 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.451 ' CB ' ' OD1' ' A' ' 58' ' ' ASN . . . 74.58 -61.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.4 OUTLIER 80.51 -62.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.21 80.29 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.587 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.451 ' OD1' ' CB ' ' A' ' 55' ' ' ALA . 15.6 p-10 -159.02 -46.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -171.0 177.58 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.9 t 170.39 69.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -91.97 23.3 3.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.418 ' HB3' ' CB ' ' A' ' 66' ' ' GLN . 88.9 m-85 -129.28 170.28 13.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' GLU . 9.0 t -101.06 163.09 12.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -38.88 -58.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -45.41 -61.11 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.418 ' CB ' ' HB3' ' A' ' 62' ' ' PHE . 3.7 mt-30 -43.61 -49.73 7.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -59.45 -48.22 82.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -47.19 -60.55 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.589 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.1 m -60.19 -56.02 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.1 mt -40.59 -50.71 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.65 -48.25 57.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -49.92 -42.6 48.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.489 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 92.7 mt -52.99 -51.16 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.56 -53.13 58.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 m -43.04 -45.57 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 93' ' ' PHE . 61.2 m -61.98 -48.68 79.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 46' ' ' ALA . 18.5 mt -45.22 -57.61 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -43.8 -26.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 77' ' ' LEU . 24.5 mt -79.19 -52.95 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.445 ' CZ ' ' HG ' ' A' ' 95' ' ' LEU . 25.3 tpt180 -56.2 -65.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 61.6 m -39.37 -51.59 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.67 -43.2 94.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 80' ' ' ARG . . . -49.91 -35.71 24.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.79 -52.12 27.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -51.1 -44.04 61.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.148 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.4 OUTLIER -53.23 156.74 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' SER . 20.5 m -60.71 84.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 86' ' ' SER . 1.0 OUTLIER 68.62 -69.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' THR . 0.1 OUTLIER -172.11 160.53 5.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.08 -52.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 169.57 60.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.425 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -138.33 -172.69 3.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.2 OUTLIER -50.18 142.38 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 110.97 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.94 -169.42 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.447 HD23 ' CD2' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -79.51 -51.75 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.36 -40.43 68.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 69.9 m-20 -66.41 -30.12 70.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.529 HD23 ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -79.24 -43.09 24.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.433 ' HD2' ' CD2' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -59.13 -15.38 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.4 ' CD ' ' HA ' ' A' ' 97' ' ' ASP . 5.4 mttt -74.42 -2.74 26.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 29.4 mt -100.69 -1.84 34.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.584 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -77.78 -46.31 2.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.308 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.02 -29.39 8.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.1 mt -64.66 -54.0 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.489 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 9.5 mt -56.48 -35.66 68.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.05 -43.04 55.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 103' ' ' PRO . 89.0 m-20 -91.11 25.41 2.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.429 ' CG1' ' HA ' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -58.04 -50.16 79.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.9 mt -58.44 -49.97 75.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.0 t -89.05 35.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 110.378 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.613 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 72.4 t80 -93.07 120.18 33.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -107.18 47.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.613 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.6 OUTLIER 49.89 -171.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 2.9 tt0 83.07 87.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -91.56 144.06 29.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.077 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -1.49 11.31 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 97' ' ' ASP . 82.3 m-85 -136.4 146.21 46.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.61 80.15 8.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 7.9 m -121.97 136.83 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.52 153.08 61.46 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 138.46 23.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.8 mt -74.8 125.68 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.43 90.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.88 -174.05 33.17 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 146.61 32.9 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 84.8 p -43.91 111.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.19 120.19 21.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -126.57 146.7 50.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 110.034 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 t 59.06 168.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.49 66.58 0.52 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 m -45.19 116.11 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.6 m 59.22 114.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.8 -144.08 4.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.439 ' HG2' ' N ' ' A' ' 9' ' ' SER . 5.7 ttm -59.05 140.28 55.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 0.763 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' VAL . 1.4 m -160.4 54.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 9' ' ' SER . 12.7 tt0 67.64 -61.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' SER . 14.6 p -62.01 -54.51 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.643 ' CG2' ' CZ ' ' A' ' 62' ' ' PHE . 6.9 m -53.75 -28.65 35.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -67.04 -68.88 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 1.3 m -38.43 -41.89 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.568 HD13 ' CZ2' ' A' ' 19' ' ' TRP . 2.0 mt -48.25 -58.32 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.43 HD21 ' N ' ' A' ' 16' ' ' LEU . 6.9 mt -44.12 -26.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.448 ' N ' ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -83.1 -74.21 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.556 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.2 -45.92 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.339 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.584 ' CE3' HD21 ' A' ' 105' ' ' LEU . 5.5 m0 -55.49 -63.02 1.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 108.003 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.0 -27.12 59.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 17' ' ' GLN . . . -71.53 -37.07 71.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 m -57.43 -65.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.601 ' CD2' ' CB ' ' A' ' 102' ' ' GLU . 15.6 tp -44.42 -57.0 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.15 -65.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -50.37 -36.66 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.33 96.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.6 97.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 0.797 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.12 -43.56 7.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' GLY . 25.4 m-85 -64.8 -63.24 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -39.87 -61.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.254 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.56 -59.53 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.9 m0 -59.89 -75.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.035 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 156.6 43.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' A' ' 37' ' ' GLU . 6.5 mm100 -112.53 67.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 mt -54.36 -51.44 64.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -44.59 -69.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.444 ' OE1' ' NE2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -51.14 -44.84 61.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.88 -57.72 6.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.3 mt -50.58 -61.85 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -41.8 -59.51 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 13.4 tm-20 -47.11 -68.82 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.598 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 18.9 m-85 -42.71 -58.44 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -48.49 -59.12 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.416 HG22 ' NE2' ' A' ' 48' ' ' HIS . 1.2 mp -45.42 -56.53 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 63.0 tp -56.31 -35.99 68.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' CA ' HD13 ' A' ' 77' ' ' LEU . . . -61.99 -49.26 76.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -49.19 78.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.416 ' NE2' HG22 ' A' ' 44' ' ' ILE . 12.5 m170 -52.09 -39.22 59.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.576 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.447 HD11 ' CG2' ' A' ' 73' ' ' ILE . 53.9 mt -60.13 -58.23 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.449 ' C ' ' N ' ' A' ' 52' ' ' GLU . 41.3 mt-30 -47.85 -48.87 30.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -28.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.6 ' OE1' ' CD1' ' A' ' 62' ' ' PHE . 3.6 mt-10 -95.95 -38.39 10.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -64.3 -45.1 89.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -91.8 49.42 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -137.85 87.11 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -45.44 -64.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -173.04 109.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.614 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -170.32 -63.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -106.34 -53.43 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -50.94 138.91 18.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -122.05 36.03 4.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.643 ' CZ ' ' CG2' ' A' ' 12' ' ' THR . 67.3 m-85 -114.94 174.46 5.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.9 t -109.1 159.66 16.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.361 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLU . 3.1 mm-40 -41.59 -60.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' GLU . 26.7 mt-10 -38.89 -39.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 69' ' ' THR . 52.9 mt-30 -82.17 -60.34 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -45.15 -50.45 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' CE ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -49.73 -37.93 31.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.599 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.7 m -77.64 -52.98 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' THR . 96.8 mt -39.23 -43.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' LYS . . . -65.96 -63.96 3.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.551 1.157 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' GLY . 16.2 mttm -39.81 -46.37 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.507 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 32.8 mt -49.12 -53.62 7.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.05 -52.04 66.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.488 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 2.1 m -44.09 -42.25 6.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 32.8 m -63.23 -49.44 74.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 108.316 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.468 HD13 ' CA ' ' A' ' 46' ' ' ALA . 17.3 mt -44.25 -59.78 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -41.19 -33.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.93 -52.75 15.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.4 ' NH1' ' HA ' ' A' ' 94' ' ' LYS . 15.1 tpt180 -54.63 -64.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.1 m -46.01 -57.03 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 83' ' ' ALA . . . -53.52 -52.21 60.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 82' ' ' ALA . . . -40.57 -40.4 1.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.2 mt -66.09 -54.11 29.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -58.8 -47.72 83.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.98 154.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.948 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 m -139.54 -65.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -39.24 -52.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.3 m -87.99 168.63 12.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -167.28 51.66 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -145.88 27.48 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -84.97 -146.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.86 145.61 40.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.4 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -105.94 -169.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 99' ' ' LYS . 3.4 mt -76.23 -57.04 4.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -48.62 -56.04 9.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -54.95 -19.37 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.549 HD23 ' CE1' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -92.2 -41.19 10.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -64.37 -10.59 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -78.7 1.46 22.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 79.4 mt -102.02 -9.77 20.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.608 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -71.73 -45.47 12.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.0 -36.62 2.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 69.5 mt -60.63 -45.06 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.584 HD21 ' CE3' ' A' ' 19' ' ' TRP . 4.1 mt -64.98 -33.03 75.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -41.77 46.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 111' ' ' TYR . 70.6 m-80 -89.62 21.92 3.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.0 -39.91 51.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.73 -43.49 75.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.2 t -107.9 45.12 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.599 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 49.9 t80 -92.78 -36.65 12.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.526 ' O ' ' CG ' ' A' ' 113' ' ' LYS . 0.5 OUTLIER 63.21 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 112' ' ' ASN . 10.7 mttt -175.95 -172.86 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER 78.81 97.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.523 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.7 OUTLIER -92.01 148.01 36.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.529 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.3 Cg_endo -74.94 -3.41 13.88 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.529 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 32.6 m-85 -140.64 169.77 17.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -114.7 91.53 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.2 m -134.77 130.1 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.47 144.7 95.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.256 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 150.06 37.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.488 ' CD1' ' OG1' ' A' ' 75' ' ' THR . 2.8 mt -84.87 132.16 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 31.5 t 66.85 140.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 126.1 -151.82 17.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 72.96 4.46 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.9 t -141.88 149.2 39.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.9 t -142.44 120.78 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.936 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p 40.83 84.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -108.66 111.64 23.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 110.021 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.71 -110.72 0.71 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.08 146.33 49.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -160.51 126.66 4.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.045 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.81 142.12 47.39 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 60.47 113.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.743 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -152.16 74.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' A' ' 9' ' ' SER . 20.4 tt0 66.41 -66.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' SER . 47.9 t -59.06 -76.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' LEU . 11.2 m -38.9 -44.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.91 -51.1 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.47 -23.57 63.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.52 HD13 ' CD2' ' A' ' 19' ' ' TRP . 1.5 tm? -66.66 -59.03 3.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.8 mt -46.49 -25.2 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' N ' ' C ' ' A' ' 15' ' ' LEU . 5.8 mm-40 -78.81 -70.78 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -43.6 -28.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.52 ' CD2' HD13 ' A' ' 15' ' ' LEU . 1.4 m0 -68.92 -67.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 107.992 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.86 -36.86 42.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.32 -49.99 68.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.5 m -50.6 -63.8 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.428 ' CD1' ' HG ' ' A' ' 98' ' ' LEU . 38.2 tp -48.68 -56.14 9.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -50.78 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -48.37 73.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -46.87 -27.08 3.14 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.64 -39.45 20.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.5 -36.86 74.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.589 ' CE1' ' CD ' ' A' ' 37' ' ' GLU . 59.6 m-85 -70.21 -54.66 11.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -50.3 -57.97 6.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.1 t -44.04 -72.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -42.94 -75.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 107.995 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.49 39.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.472 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -114.66 103.85 11.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' CD2' ' N ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -89.88 -50.33 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.453 ' CG2' ' N ' ' A' ' 37' ' ' GLU . 26.8 m -48.22 -56.22 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.589 ' CD ' ' CE1' ' A' ' 29' ' ' PHE . 6.5 mt-10 -61.28 -43.72 98.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.608 ' O ' ' CD2' ' A' ' 42' ' ' TYR . . . -54.28 -51.1 65.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.406 HG21 ' NE2' ' A' ' 85' ' ' GLN . 7.4 mt -66.31 -42.47 90.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -55.73 -56.7 17.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -53.42 -69.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.608 ' CD2' ' O ' ' A' ' 38' ' ' ALA . 21.4 m-85 -39.97 -61.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' ALA . 55.2 mt-30 -46.14 -65.69 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.46 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.2 mp -42.14 -57.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.4 tp -54.5 -39.47 67.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.471 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -61.11 -46.82 89.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -61.93 -33.48 74.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 15.1 m170 -69.93 -49.42 52.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.651 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.505 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 38.3 mt -41.81 -43.77 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' GLN . 38.6 mt-30 -65.21 -48.51 73.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -28.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 14.7 mm-40 -95.85 -33.31 12.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -74.51 -65.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLN . 5.6 pt20 -65.32 -32.94 74.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 52.19 63.1 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -44.18 -64.86 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -134.98 58.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.2 96.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.94 92.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 t -42.98 165.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.989 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.74 36.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.523 ' CD2' HD12 ' A' ' 70' ' ' ILE . 9.3 m-85 -111.78 136.49 50.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.467 HG22 ' CG ' ' A' ' 65' ' ' GLU . 13.4 t -72.31 163.59 27.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -55.48 5.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.521 ' CB ' ' HE3' ' A' ' 113' ' ' LYS . 2.1 pt-20 -57.61 -25.91 60.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 60.7 mt-30 -81.96 -66.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 63' ' ' THR . 11.7 ptmt -48.03 -27.05 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -60.44 -68.85 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.501 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 18.5 m -42.28 -56.47 2.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.523 HD12 ' CD2' ' A' ' 62' ' ' PHE . 13.7 mt -40.84 -50.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.76 -37.99 95.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 69' ' ' THR . 56.2 mttt -68.76 -42.79 77.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.764 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.489 ' CG2' HD12 ' A' ' 49' ' ' LEU . 70.4 mt -51.76 -54.86 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -47.03 -60.23 2.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' ALA . 2.0 m -37.6 -54.0 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 93' ' ' PHE . 58.0 m -51.48 -51.47 54.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.258 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.471 HD11 ' CB ' ' A' ' 46' ' ' ALA . 14.4 mt -46.16 -59.12 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -41.64 -31.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.478 HD12 ' CD1' ' A' ' 93' ' ' PHE . 12.3 mt -73.24 -48.81 31.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' LEU . 27.4 tpt180 -61.68 -65.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.4 m -38.64 -56.29 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.413 1.071 . . . . 0.0 109.99 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.2 -53.67 55.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.44 ' O ' ' NE2' ' A' ' 90' ' ' GLN . . . -41.73 -38.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.2 mt -66.87 -53.85 28.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.406 ' NE2' HG21 ' A' ' 39' ' ' ILE . 25.2 mt-30 -54.22 -57.42 11.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.57 166.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.4 m -139.6 -82.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.73 126.13 11.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 m 39.3 86.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.018 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -127.05 132.9 50.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 177.46 67.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.81 -10.38 16.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 1.1 t80 176.95 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.488 ' CD ' ' HG2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -56.03 -170.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 98' ' ' LEU . 35.4 tp -82.28 -57.76 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.488 ' HG2' ' CD ' ' A' ' 94' ' ' LYS . 6.5 pt-20 -46.26 -42.7 14.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -59.32 -32.41 70.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.514 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -75.86 -46.57 29.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -11.56 55.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.46 ' HE2' ' CZ ' ' A' ' 117' ' ' PHE . 24.1 mtpt -72.32 -7.52 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 33.6 mt -100.83 -13.14 18.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.538 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -54.31 -49.22 91.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.5 Cg_endo -75.01 -49.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.799 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.563 HG22 ' CE1' ' A' ' 111' ' ' TYR . 53.5 mt -43.39 -52.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.475 ' CD2' HD13 ' A' ' 73' ' ' ILE . 7.1 mt -60.12 -36.33 77.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -69.57 -51.78 32.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.485 ' OD1' ' CG2' ' A' ' 110' ' ' THR . 9.4 m-80 -87.68 34.64 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.427 ' CG1' ' HA ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.69 -20.96 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -88.41 -30.0 19.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.485 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 7.3 t -117.78 39.82 3.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.425 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.563 ' CE1' HG22 ' A' ' 104' ' ' ILE . 24.5 t80 -100.44 -20.1 15.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.498 ' O ' ' CG ' ' A' ' 113' ' ' LYS . 11.1 m-80 58.62 -91.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.521 ' HE3' ' CB ' ' A' ' 65' ' ' GLU . 12.1 mttt -175.98 -168.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 3.0 tt0 81.96 66.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 1.3 t80 -62.02 140.58 95.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.0 -47.21 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.46 ' CZ ' ' HE2' ' A' ' 100' ' ' LYS . 53.7 m-85 -86.08 140.63 30.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.44 79.97 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.48 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 5.2 m -130.15 121.03 50.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.14 158.02 82.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 137.69 22.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 3.1 mt -83.42 128.12 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.4 120.46 24.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.045 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -79.12 -158.75 13.77 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 106.75 2.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.0 m -86.55 132.57 33.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.1 m -61.16 133.6 56.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.123 . . . . 0.0 111.008 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.58 138.74 39.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.004 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.82 -56.76 0.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.4 74.92 1.29 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.48 136.53 54.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 m -136.02 161.09 36.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.071 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.93 -73.38 0.26 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 60.66 129.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.4 m -151.0 -88.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.59 -18.2 11.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 12' ' ' THR . 3.4 m -79.97 -50.04 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.667 ' CG2' ' CZ ' ' A' ' 62' ' ' PHE . 54.7 m -77.54 -42.87 33.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -51.87 -55.65 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.74 -37.89 53.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.597 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -52.23 -46.09 65.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.19 -20.86 4.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -88.45 -72.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.597 ' CG ' ' HA ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.93 -44.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.569 ' CZ2' HD12 ' A' ' 15' ' ' LEU . 6.5 m0 -55.7 -64.6 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.002 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.16 -35.69 60.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.78 88.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -56.92 15.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 98' ' ' LEU . 59.1 tp -52.38 -58.18 7.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -54.2 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -60.76 -55.11 37.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' HA3' ' CE1' ' A' ' 42' ' ' TYR . . . -42.93 -32.42 1.44 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.62 -50.31 12.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.6 -37.01 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 21.1 m-85 -72.73 -51.41 19.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.74 -56.96 10.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.43 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -49.6 -69.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 107.971 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.97 46.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -115.23 68.98 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.767 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mt -57.74 -58.3 8.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.459 ' CG1' ' H ' ' A' ' 37' ' ' GLU . 2.3 p -43.46 -68.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.8 mt-10 -51.98 -44.05 63.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.96 -63.18 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.0 mt -40.78 -59.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.45 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.8 OUTLIER -41.06 -58.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -50.25 -68.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.562 ' CE1' HD22 ' A' ' 98' ' ' LEU . 21.3 m-85 -43.28 -60.54 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' ALA . 77.8 mt-30 -49.4 -62.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.45 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 1.2 mp -42.41 -54.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -54.04 -39.84 66.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' GLN . . . -58.09 -49.32 77.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -47.04 82.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -54.89 -51.45 65.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.485 HD12 ' CG2' ' A' ' 73' ' ' ILE . 90.9 mt -43.53 -46.26 6.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' GLN . 30.5 mt-30 -58.98 -47.61 84.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -40.58 -31.74 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 17.9 mm-40 -96.0 -35.99 11.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -68.4 -62.26 1.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLN . 4.8 pt20 -69.25 -34.51 74.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' GLN . . . 39.53 60.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -70.99 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -75.59 -53.32 8.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.594 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -86.3 166.15 15.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -119.43 94.53 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.1 t -41.66 134.08 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.999 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -91.21 20.32 5.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.667 ' CZ ' ' CG2' ' A' ' 12' ' ' THR . 58.2 m-85 -102.1 172.38 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.3 t -92.74 159.87 15.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -38.94 -59.97 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -44.47 -62.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.401 ' CG ' HG21 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -45.55 -57.95 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -46.72 -52.56 13.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -60.93 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.34 -49.84 68.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.403 ' CG2' ' O ' ' A' ' 49' ' ' LEU . 36.6 mt -42.51 -52.14 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.468 ' CA ' HG12 ' A' ' 122' ' ' ILE . . . -63.11 -57.33 16.01 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 71' ' ' GLY . 26.4 mttt -39.96 -53.14 2.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.485 ' CG2' HD12 ' A' ' 49' ' ' LEU . 99.6 mt -43.69 -49.66 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -53.74 -58.3 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 m -41.14 -47.96 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 93' ' ' PHE . 89.3 m -57.11 -46.15 82.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 108.32 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 74' ' ' ALA . 17.5 mt -51.7 -57.04 10.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.66 -29.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.4 mt -77.15 -57.47 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.429 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 15.6 tpt180 -47.6 -67.16 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.7 m -41.57 -63.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.152 . . . . 0.0 110.018 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.85 -53.1 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.61 -40.49 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.429 HD23 ' CZ ' ' A' ' 80' ' ' ARG . 25.5 mt -64.23 -54.27 36.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -56.03 -45.94 79.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.39 163.93 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -158.01 -65.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -39.32 -52.46 2.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.73 103.07 9.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.068 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' A' ' 90' ' ' GLN . 1.9 pt20 -105.61 108.2 19.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -168.45 37.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -109.46 -171.64 1.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -43.55 142.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.463 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.1 OUTLIER -105.95 -170.38 1.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 98' ' ' LEU . 6.9 tp -77.51 -57.02 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.463 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 10.7 pt-20 -49.27 -36.33 20.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.434 ' CG ' ' CE1' ' A' ' 117' ' ' PHE . 50.6 m-20 -71.39 -31.34 67.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.562 HD22 ' CE1' ' A' ' 42' ' ' TYR . 2.9 tp -76.16 -52.22 10.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -54.54 -20.34 7.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -9.51 48.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.3 mt -96.55 -4.61 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.531 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -69.93 -49.61 19.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.03 -29.13 8.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.69 -47.81 89.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.481 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 4.1 mt -68.83 -31.75 70.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.17 -53.04 11.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.494 ' OD1' ' CG2' ' A' ' 110' ' ' THR . 54.8 m-80 -90.65 20.41 4.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.401 HG21 ' CG ' ' A' ' 66' ' ' GLN . 0.1 OUTLIER -39.58 -38.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.96 -53.9 9.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.494 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 9.8 t -97.0 47.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.451 ' CE1' ' HA ' ' A' ' 113' ' ' LYS . 0.2 OUTLIER -110.45 136.16 50.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.73 128.58 33.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.451 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -60.3 -169.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 66.02 68.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.254 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.542 ' CD2' ' HD2' ' A' ' 116' ' ' PRO . 0.3 OUTLIER -38.22 147.65 0.25 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.542 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.4 Cg_endo -75.01 -14.99 20.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.434 ' CE1' ' CG ' ' A' ' 97' ' ' ASP . 77.0 m-85 -123.21 154.91 38.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.79 91.43 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.403 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 18.2 m -143.71 112.71 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.02 156.92 88.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 145.4 31.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.468 HG12 ' CA ' ' A' ' 71' ' ' GLY . 11.1 mm -54.25 -97.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 122' ' ' ILE . 6.2 t -38.62 150.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -99.68 -144.06 15.62 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.478 1.112 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 113.98 3.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.46 171.24 10.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.027 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.9 t -159.74 130.47 5.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.77 148.6 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.971 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.17 -61.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.56 -93.18 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.533 1.146 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -139.51 109.02 6.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 110.042 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -153.47 139.23 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.94 119.46 2.99 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 ttm 63.78 134.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.798 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -164.44 69.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.004 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 13' ' ' ARG . 16.2 tt0 64.44 -76.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 9' ' ' SER . 61.6 t -40.39 -51.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -69.12 -36.25 77.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.441 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -62.34 -31.22 71.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.2 -24.39 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.567 HD11 ' CZ2' ' A' ' 19' ' ' TRP . 5.2 mt -68.64 -65.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.455 HD21 ' CG2' ' A' ' 108' ' ' ILE . 59.7 mt -41.91 -28.14 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 15' ' ' LEU . 1.5 tt0 -87.17 -68.16 0.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.438 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -43.99 -33.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.172 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.567 ' CZ2' HD11 ' A' ' 15' ' ' LEU . 7.6 m0 -68.02 -65.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.002 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.29 -25.38 18.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.566 1.166 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.12 -18.54 62.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.93 -56.25 3.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.465 HD23 ' CG ' ' A' ' 102' ' ' GLU . 28.1 tp -50.37 -59.36 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.62 -63.98 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -48.71 -30.96 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.49 -33.78 85.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.556 1.16 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.38 -40.93 73.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.475 ' O ' ' CG ' ' A' ' 32' ' ' TRP . 3.2 m-20 -47.36 -40.81 18.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.599 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 18.5 m-85 -72.98 -55.3 6.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -46.95 -47.45 21.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.43 -70.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.475 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 16.5 m0 -47.1 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 108.042 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.0 42.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.511 ' CB ' ' HB3' ' A' ' 29' ' ' PHE . 2.0 mt-30 -111.95 48.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.334 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mt -42.13 -54.17 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -40.46 -72.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.599 ' OE1' ' CZ ' ' A' ' 29' ' ' PHE . 2.9 mt-10 -48.06 -43.15 30.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.56 -56.81 8.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 55.3 mt -50.59 -54.63 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.448 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -49.46 -55.15 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.552 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 3.6 tm-20 -51.03 -69.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 110.317 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.578 ' CE1' HD21 ' A' ' 98' ' ' LEU . 22.1 m-85 -42.65 -65.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -42.97 -60.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.571 HG22 ' CE1' ' A' ' 48' ' ' HIS . 1.3 mp -43.43 -62.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.543 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 62.5 tp -51.19 -38.48 52.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.465 ' CA ' HD11 ' A' ' 77' ' ' LEU . . . -59.83 -55.06 38.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -27.17 67.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CE1' HG22 ' A' ' 44' ' ' ILE . 1.3 m80 -75.17 -37.52 61.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.48 HD12 ' CG2' ' A' ' 73' ' ' ILE . 19.4 mt -57.6 -51.15 70.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.444 ' C ' ' N ' ' A' ' 52' ' ' GLU . 43.1 mt-30 -53.05 -43.53 66.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -38.2 -32.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 50' ' ' GLN . 6.7 mt-10 -95.28 -40.61 9.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -60.03 -28.46 67.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 3.9 pt20 -118.91 32.83 5.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.353 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -43.81 117.3 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -47.3 122.1 4.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 41.34 43.28 2.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.604 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 t30 44.92 87.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -129.19 65.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.04 173.62 16.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -105.46 25.1 11.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.443 ' CD1' ' OE1' ' A' ' 52' ' ' GLU . 75.8 m-85 -108.04 148.7 29.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -93.51 155.95 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -45.29 -55.43 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -48.97 -34.0 12.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 109' ' ' LEU . 37.9 mt-30 -79.91 -49.12 12.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.6 OUTLIER -59.45 -54.99 40.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -31.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.49 -41.11 20.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LYS . 44.9 mt -51.22 -44.58 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.79 -51.54 45.68 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.81 -54.55 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.486 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 96.6 mt -43.11 -51.33 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.454 ' N ' HD11 ' A' ' 49' ' ' LEU . . . -54.64 -54.79 36.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' ALA . 31.4 m -37.85 -52.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.601 ' SG ' ' CZ ' ' A' ' 93' ' ' PHE . 83.6 m -53.43 -54.09 41.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.465 HD11 ' CA ' ' A' ' 46' ' ' ALA . 10.0 mt -39.97 -62.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -40.76 -44.69 2.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -63.64 -48.17 78.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -61.8 -59.1 5.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.7 m -43.98 -50.19 8.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.39 -48.1 76.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.24 -45.63 4.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.3 mt -59.7 -53.66 55.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -58.15 -37.01 73.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.45 129.48 39.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.0 t -128.63 154.43 46.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 71.28 -59.34 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.6 t -105.56 85.36 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -115.2 124.51 51.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -153.78 25.72 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -94.62 -144.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.252 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.601 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.4 OUTLIER -72.94 148.76 43.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.469 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -106.13 -170.03 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 98' ' ' LEU . 9.0 tp -78.76 -55.25 5.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 9.7 pt-20 -48.6 -50.8 31.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 96.6 m-20 -60.36 -31.37 70.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.578 HD21 ' CE1' ' A' ' 42' ' ' TYR . 2.0 tp -73.51 -58.26 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.75 -17.25 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -11.06 49.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 32.7 mt -98.61 -5.94 30.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.566 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -61.42 -47.67 92.94 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.1 Cg_endo -75.04 -46.04 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 43.9 mt -45.73 -51.93 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.486 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 0.9 OUTLIER -60.11 -30.38 69.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 103' ' ' PRO . 3.5 mmmt -76.28 -48.0 21.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.418 ' HB3' ' CG2' ' A' ' 110' ' ' THR . 60.7 m-20 -90.98 23.98 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.455 ' CG2' HD21 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -53.44 -39.16 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.41 ' HA ' ' NE2' ' A' ' 66' ' ' GLN . 25.2 mt -71.26 -48.96 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.418 ' CG2' ' HB3' ' A' ' 107' ' ' ASN . 7.7 t -91.92 36.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.481 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 64.4 t80 -92.85 134.95 34.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' A' ' 113' ' ' LYS . 22.3 m-80 -82.91 -89.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.564 ' CG ' ' O ' ' A' ' 112' ' ' ASN . 0.0 OUTLIER 174.25 -167.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 2.2 tt0 85.8 -46.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 1.0 OUTLIER 66.42 148.77 0.11 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.05 0.78 8.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 97' ' ' ASP . 97.4 m-85 -148.19 171.8 15.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -129.04 88.46 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 120' ' ' GLN . 27.2 m -131.38 123.83 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 119' ' ' VAL . 3.0 mt-30 -38.38 121.14 1.09 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.6 11.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.548 ' CG2' ' N ' ' A' ' 123' ' ' SER . 2.9 mt -50.83 -97.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.548 ' N ' ' CG2' ' A' ' 122' ' ' ILE . 0.3 OUTLIER 72.7 -58.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -85.15 -169.64 46.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.5 20.43 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.798 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.44 107.87 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.7 m -72.99 97.49 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -162.02 158.5 25.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.982 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -96.77 111.08 23.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.63 137.95 2.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -164.29 130.04 2.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 0.794 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.3 156.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.93 -107.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.42 ' CE ' HD11 ' A' ' 109' ' ' LEU . 2.8 tmm? -66.01 139.24 58.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 0.791 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -150.45 -99.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 12.4 tt0 -122.75 -3.73 8.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.54 -30.91 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.522 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 4.8 m -85.39 -40.52 16.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -30.28 65.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 t -83.83 -23.1 31.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.981 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.4 -33.59 69.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.8 mt -78.76 -43.94 24.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -60.05 -32.49 70.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -78.6 -44.6 23.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.557 ' CZ2' ' HG3' ' A' ' 52' ' ' GLU . 6.2 m0 -60.59 -31.89 71.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 108.048 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.09 -18.76 64.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 -22.8 56.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 m -78.69 -65.37 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.476 HD12 ' CD1' ' A' ' 98' ' ' LEU . 50.0 tp -43.82 -56.58 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.68 -50.82 17.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.7 ttt180 -64.21 -52.01 60.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.48 -26.36 1.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.88 -38.58 19.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -56.97 -44.9 83.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.569 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 54.8 m-85 -66.62 -51.56 54.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.28 -57.42 10.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.56 -67.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.502 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 20.8 m0 -43.76 -72.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 107.978 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.04 43.36 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.555 1.16 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -118.9 72.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mt -61.79 -54.01 48.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.8 t -48.0 -60.23 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.569 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -56.22 -42.99 78.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.72 -64.09 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.43 HG13 ' CD1' ' A' ' 84' ' ' LEU . 6.6 mt -41.27 -59.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -46.55 -49.37 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -53.78 -66.02 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.498 ' CE2' ' HG2' ' A' ' 80' ' ' ARG . 20.2 m-85 -49.51 -64.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' ALA . 63.0 mt-30 -39.46 -62.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.553 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.3 mp -42.08 -60.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.8 tp -50.65 -37.96 43.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.475 ' CB ' HD12 ' A' ' 77' ' ' LEU . . . -58.3 -64.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -29.83 65.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.553 ' CE1' HG23 ' A' ' 44' ' ' ILE . 1.4 m80 -70.79 -31.38 68.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.582 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD11 ' CG2' ' A' ' 73' ' ' ILE . 16.8 mt -66.55 -42.36 87.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 52' ' ' GLU . 63.8 mt-30 -60.12 -46.19 90.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' GLN . 7.7 tptt -39.31 -32.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.557 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 57.8 mm-40 -96.04 -37.52 10.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -64.97 -61.1 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.4 pt20 -70.46 -34.06 71.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 50.8 77.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -40.33 -84.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.1 55.57 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.62 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.9 76.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -132.81 95.62 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.4 p 174.74 125.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.1 39.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.522 ' CZ ' HG23 ' A' ' 12' ' ' THR . 21.6 m-85 -123.72 177.61 5.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.402 ' HG1' ' N ' ' A' ' 64' ' ' GLU . 1.9 t -104.78 171.13 7.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.417 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' N ' ' HG1' ' A' ' 63' ' ' THR . 1.5 mt-10 -52.01 -51.9 54.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.332 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.419 ' CA ' ' HE2' ' A' ' 113' ' ' LYS . 10.3 mm-40 -46.67 -58.91 3.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -53.78 -59.6 4.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.286 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -40.66 -49.42 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.27 -68.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.407 ' OG1' ' CE1' ' A' ' 111' ' ' TYR . 1.1 m -47.93 -54.28 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.445 ' CG2' HD23 ' A' ' 49' ' ' LEU . 80.1 mt -40.76 -43.24 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.64 -51.8 11.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' CG ' ' HB3' ' A' ' 121' ' ' PRO . 11.4 mttt -47.15 -41.73 18.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.464 ' CG2' HD11 ' A' ' 49' ' ' LEU . 88.8 mt -53.17 -56.93 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.41 ' HB2' ' CD1' ' A' ' 122' ' ' ILE . . . -47.68 -56.25 7.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.9 m -39.86 -49.21 2.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.426 ' CB ' HD12 ' A' ' 101' ' ' LEU . 47.2 m -57.32 -50.13 73.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.475 HD12 ' CB ' ' A' ' 46' ' ' ALA . 16.0 mt -44.07 -59.11 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.33 -27.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.404 ' N ' ' C ' ' A' ' 77' ' ' LEU . 20.7 mt -79.28 -58.1 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.498 ' HG2' ' CE2' ' A' ' 42' ' ' TYR . 14.2 tpt85 -48.89 -65.28 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.5 m -41.2 -61.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 86' ' ' SER . . . -50.94 -46.81 61.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.72 -36.97 17.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.431 HD23 ' CZ ' ' A' ' 80' ' ' ARG . 21.3 mt -67.35 -50.38 60.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -66.95 -19.36 65.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 82' ' ' ALA . 1.3 p -82.71 -12.71 57.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 89' ' ' SER . 11.5 m 57.29 165.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.405 ' N ' HG22 ' A' ' 87' ' ' THR . 0.9 OUTLIER -45.51 94.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 87' ' ' THR . 1.3 t 179.02 160.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 63.53 179.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.03 63.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.78 -145.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.549 ' CE1' ' CD1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -86.56 142.23 28.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 -168.8 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.437 ' CD2' HD21 ' A' ' 98' ' ' LEU . 8.8 mt -81.82 -53.13 6.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 9.3 pt-20 -51.15 -33.8 28.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 77.3 m-20 -81.51 -25.8 35.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.486 HD23 ' CZ ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -79.29 -39.84 31.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -56.56 -18.19 10.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 96' ' ' GLU . 19.3 mtpp -70.9 -6.29 37.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.426 HD12 ' CB ' ' A' ' 76' ' ' CYS . 83.2 mt -100.36 2.13 42.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.521 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -79.14 -50.21 1.4 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.06 -30.21 7.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.03 -46.45 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.443 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 1.4 mt -70.42 -31.66 68.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -51.57 20.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 110' ' ' THR . 9.7 m-80 -92.11 24.71 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.61 -36.37 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.42 HD11 ' CE ' ' A' ' 8' ' ' MET . 0.2 OUTLIER -79.64 -35.18 39.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 107' ' ' ASN . 0.0 OUTLIER -112.72 52.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.407 ' CE1' ' OG1' ' A' ' 69' ' ' THR . 0.7 OUTLIER -120.15 125.03 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -71.32 123.59 22.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.419 ' HE2' ' CA ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -53.22 -175.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 115' ' ' PHE . 0.9 OUTLIER 77.85 60.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.55 ' CD2' ' HD2' ' A' ' 116' ' ' PRO . 0.5 OUTLIER -36.52 147.78 0.19 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.989 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.0 -38.35 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.771 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.549 ' CD1' ' CE1' ' A' ' 93' ' ' PHE . 93.7 m-85 -85.84 -10.53 55.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' PHE . 33.7 m-20 39.38 82.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 120' ' ' GLN . 5.9 m -124.38 127.95 73.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' VAL . 0.2 OUTLIER -38.44 124.19 1.12 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.426 ' HB3' ' CG ' ' A' ' 72' ' ' LYS . 18.1 Cg_endo -74.95 148.33 35.37 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.475 1.776 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 74' ' ' ALA . 2.1 mt -72.72 139.34 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.402 ' N ' HG23 ' A' ' 122' ' ' ILE . 0.6 OUTLIER -39.42 113.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -97.69 -114.95 3.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.9 171.49 8.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.3 m -149.59 152.33 35.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t -110.44 -58.67 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -78.5 115.62 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.5 119.64 0.91 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.29 131.61 39.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -90.55 -62.42 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.04 -67.43 1.51 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -178.81 64.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 40.73 -153.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.977 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' CD ' ' N ' ' A' ' 10' ' ' GLU . 2.2 pm0 -118.11 -38.82 3.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.2 m -56.33 -43.01 75.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.519 HG21 ' CE1' ' A' ' 62' ' ' PHE . 93.2 m -69.87 -42.79 73.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.3 -25.32 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 p -87.64 -18.62 29.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.957 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.482 HD11 ' CH2' ' A' ' 19' ' ' TRP . 4.9 mt -71.15 -68.17 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.3 mt -41.23 -28.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 15' ' ' LEU . 9.6 mt-30 -86.21 -70.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -40.08 -32.28 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.256 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.482 ' CH2' HD11 ' A' ' 15' ' ' LEU . 6.6 m0 -69.23 -66.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.025 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.57 -23.49 4.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.6 -34.98 70.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 19' ' ' TRP . 3.7 m -62.8 -62.04 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.035 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.494 HD12 ' CD1' ' A' ' 98' ' ' LEU . 21.8 tp -50.82 -58.37 6.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -37.96 -46.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -74.26 -48.17 30.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.7 -37.63 3.95 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.29 -52.92 42.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.516 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 24.6 m-20 -41.11 -56.63 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -55.6 -52.71 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -64.31 0.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 m -41.04 -65.8 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CH2' ' HB3' ' A' ' 28' ' ' ASP . 28.9 m0 -48.62 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.67 43.53 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.531 1.145 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -114.18 68.31 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.317 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.6 mt -56.47 -58.91 6.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.404 ' CG1' ' H ' ' A' ' 37' ' ' GLU . 1.4 p -42.37 -71.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' H ' ' CG1' ' A' ' 36' ' ' VAL . 0.5 OUTLIER -51.77 -44.43 63.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 34' ' ' GLN . . . -52.51 -62.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.43 HG13 ' CD1' ' A' ' 84' ' ' LEU . 3.4 mt -43.42 -52.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.93 -53.87 9.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -50.18 -66.16 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.553 ' CE1' HD23 ' A' ' 98' ' ' LEU . 22.0 m-85 -46.08 -66.98 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -40.57 -64.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.439 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 1.1 mp -43.2 -54.3 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.406 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 20.7 tp -58.19 -40.89 82.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.452 ' CB ' HD12 ' A' ' 77' ' ' LEU . . . -56.66 -58.33 8.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -34.71 63.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.439 ' ND1' ' O ' ' A' ' 44' ' ' ILE . 1.3 m80 -66.13 -36.43 83.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.478 HD12 ' CG2' ' A' ' 73' ' ' ILE . 71.8 mt -65.64 -58.5 5.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.442 ' C ' ' N ' ' A' ' 52' ' ' GLU . 7.5 mt-30 -47.45 -44.9 25.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -29.04 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 50' ' ' GLN . 33.1 mm-40 -94.1 -40.58 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -60.81 -37.11 80.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -116.65 41.75 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -45.67 107.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.68 -59.69 1.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -79.06 -54.64 5.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.6 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.88 98.84 9.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -46.97 -39.5 12.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m 76.53 144.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.57 54.1 2.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.519 ' CE1' HG21 ' A' ' 12' ' ' THR . 39.3 m-85 -127.3 142.53 51.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.415 HG23 ' CG ' ' A' ' 65' ' ' GLU . 5.4 t -80.56 156.89 26.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -47.88 -62.55 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.492 ' CB ' ' HE3' ' A' ' 113' ' ' LYS . 8.4 pt-20 -41.89 -32.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.407 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 27.1 mt-30 -81.5 -50.31 9.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.8 mtpt -56.28 -37.39 69.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -59.58 -54.7 43.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.603 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 48.2 m -51.8 -58.12 7.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.455 HG22 ' CD2' ' A' ' 49' ' ' LEU . 63.5 mt -40.91 -43.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.471 ' CA ' HG12 ' A' ' 122' ' ' ILE . . . -65.38 -56.57 14.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 1.7 mttt -41.06 -38.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.479 ' CD1' ' HG ' ' A' ' 105' ' ' LEU . 71.9 mt -62.63 -59.13 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.33 -44.83 5.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.409 ' O ' HD21 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -53.4 -58.2 7.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.59 ' SG ' ' CZ ' ' A' ' 93' ' ' PHE . 71.9 m -47.54 -55.7 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 108.31 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.452 HD12 ' CB ' ' A' ' 46' ' ' ALA . 3.6 mt -38.97 -63.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' LEU . 1.4 mm-40 -37.53 -51.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -54.91 -56.08 23.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.411 ' NH1' ' HA ' ' A' ' 94' ' ' LYS . 28.4 tpt180 -56.3 -61.63 2.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.417 ' O ' ' NE2' ' A' ' 85' ' ' GLN . 75.3 m -39.13 -52.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.61 -48.02 73.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -40.84 -53.82 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.43 ' CD1' HG13 ' A' ' 39' ' ' ILE . 23.0 mt -52.84 -48.86 66.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 81' ' ' SER . 23.8 mt-30 -59.8 -39.84 86.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 t -72.75 138.91 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.5 m -152.49 70.49 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -172.05 81.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 39.28 73.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.049 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -109.07 175.45 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -149.41 68.08 1.02 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -109.85 -151.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.59 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -76.91 141.92 40.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.411 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -106.23 -170.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 98' ' ' LEU . 3.5 tp -75.31 -59.94 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.36 -46.92 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -60.63 -38.22 84.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.553 HD23 ' CE1' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -74.23 -46.39 42.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -53.36 -23.16 8.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -72.07 -5.64 36.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 90.0 mt -99.56 -3.61 32.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -72.69 -50.32 7.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.0 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 108' ' ' ILE . 15.8 mt -45.48 -51.37 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.479 ' HG ' ' CD1' ' A' ' 73' ' ' ILE . 0.7 OUTLIER -52.58 -35.42 53.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 103' ' ' PRO . 15.6 mttt -79.55 -38.12 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.459 ' OD1' ' CG2' ' A' ' 110' ' ' THR . 32.7 m-80 -88.67 16.16 7.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -54.41 -28.67 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.0 mt -80.98 -47.17 14.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.459 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 8.5 t -91.84 34.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.603 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 17.7 t80 -82.63 125.8 31.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -97.71 27.52 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.598 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 12.6 mttt 51.0 -179.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.8 tt0 80.24 74.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -57.78 144.43 73.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.441 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -74.98 -14.28 21.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.441 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 48.1 m-85 -116.38 152.36 34.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -77.09 68.76 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.06 131.78 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -88.45 158.34 48.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 134.14 17.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.471 HG12 ' CA ' ' A' ' 71' ' ' GLY . 10.8 mm -43.84 -91.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 68.3 p -39.43 130.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -123.18 -129.36 3.49 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 78.56 2.85 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.769 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.66 91.47 2.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.27 119.86 13.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.55 165.09 11.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.018 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -128.67 93.93 3.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.56 -103.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.67 87.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.13 77.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.14 127.18 9.92 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 ttt 60.13 124.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -148.2 -96.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.955 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -115.53 -15.97 11.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.7 m -85.54 -38.29 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.4 m -79.89 -48.91 12.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 110.37 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -41.05 52.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -29.31 69.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.441 ' C ' ' N ' ' A' ' 17' ' ' GLN . 4.1 mt -69.05 -61.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 105' ' ' LEU . 0.9 OUTLIER -42.59 -28.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.441 ' N ' ' C ' ' A' ' 15' ' ' LEU . 33.4 mt-30 -89.15 -70.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.418 ' CD ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -38.71 -33.5 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.505 ' CZ2' ' HG3' ' A' ' 52' ' ' GLU . 4.4 m0 -70.17 -67.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 108.029 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.82 -27.82 14.47 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.7 -42.0 95.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.2 -63.03 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 110.018 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.449 ' CD1' ' HG ' ' A' ' 98' ' ' LEU . 52.7 tp -47.29 -59.82 2.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -40.25 -46.99 2.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -44.95 70.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.09 -35.67 33.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.89 -44.65 61.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.504 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . 67.4 m-20 -50.45 -54.28 23.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 37' ' ' GLU . 16.3 m-85 -51.73 -59.16 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -54.09 -54.31 41.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.02 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.504 ' CZ2' ' HB3' ' A' ' 28' ' ' ASP . 5.1 m0 -55.46 -65.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.97 47.8 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' LEU . 13.6 mm100 -115.98 45.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' GLN . 4.5 mt -36.68 -43.25 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.01 -59.98 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.9 mt-10 -61.69 -39.86 92.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 42' ' ' TYR . . . -56.85 -50.18 73.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.455 ' CG2' ' NE2' ' A' ' 43' ' ' GLN . 7.8 mt -54.15 -60.06 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.85 -60.87 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -46.19 -59.54 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.54 ' CE1' HD23 ' A' ' 98' ' ' LEU . 18.7 m-85 -51.31 -63.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.455 ' NE2' ' CG2' ' A' ' 39' ' ' ILE . 87.9 mt-30 -47.94 -62.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.562 HG22 ' CE1' ' A' ' 48' ' ' HIS . 1.1 mp -40.83 -56.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 55.3 tp -55.5 -42.96 75.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.474 ' CB ' HD13 ' A' ' 77' ' ' LEU . . . -55.65 -53.55 55.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -27.42 68.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.562 ' CE1' HG22 ' A' ' 44' ' ' ILE . 1.3 m80 -73.73 -42.13 61.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.549 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.453 HD13 ' CG2' ' A' ' 73' ' ' ILE . 32.7 mt -53.86 -53.95 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' GLU . 38.1 mt-30 -49.98 -45.47 51.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' GLN . 12.9 tptt -39.53 -31.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.505 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 17.1 mm-40 -95.75 -39.32 9.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' GLN . . . -61.48 -59.93 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' GLN . 9.0 pt20 -101.41 43.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 59' ' ' ASN . . . -46.6 95.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' GLN . 26.4 tt0 -39.75 -29.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -105.34 109.55 21.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 59' ' ' ASN . 16.8 m-80 60.97 -87.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.465 ' HA ' ' CB ' ' A' ' 55' ' ' ALA . 7.6 m-20 165.02 43.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 p 61.06 -162.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.02 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.62 8.13 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -92.45 150.41 20.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' GLU . 3.8 t -78.66 156.48 29.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 68' ' ' LYS . 7.7 mt-10 -37.87 -55.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.464 ' CA ' ' HE3' ' A' ' 113' ' ' LYS . 55.8 mt-10 -49.07 -52.76 23.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -55.71 -63.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -56.39 -19.02 12.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -80.35 -30.05 37.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 70' ' ' ILE . 1.1 m -88.39 -45.93 9.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.448 ' CG2' HD23 ' A' ' 49' ' ' LEU . 92.5 mt -40.67 -57.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -48.67 -52.75 19.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.563 1.165 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -44.54 -52.09 8.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.453 ' CG2' HD13 ' A' ' 49' ' ' LEU . 25.7 mt -48.21 -52.74 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 77' ' ' LEU . . . -53.12 -57.13 11.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.452 ' O ' HD11 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -37.35 -61.67 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.436 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 93' ' ' PHE . 1.8 m -41.83 -50.3 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 108.289 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.474 HD13 ' CB ' ' A' ' 46' ' ' ALA . 15.0 mt -44.5 -50.4 9.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -49.14 -28.08 4.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.516 ' CD1' ' N ' ' A' ' 79' ' ' LEU . 2.3 mp -78.24 -60.3 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' A' ' 83' ' ' ALA . 9.6 tpt85 -45.95 -67.97 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.462 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 85.2 p -41.33 -70.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' N ' ' OG ' ' A' ' 81' ' ' SER . . . -42.3 -41.22 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 80' ' ' ARG . . . -47.03 -54.6 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.404 HD22 ' O ' ' A' ' 81' ' ' SER . 2.1 mm? -55.24 -60.65 3.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.462 ' NE2' ' C ' ' A' ' 81' ' ' SER . 3.0 mt-30 -50.29 -49.9 52.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -38.39 140.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 88' ' ' GLN . 66.7 m -90.26 166.0 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.395 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.407 ' N ' HG23 ' A' ' 87' ' ' THR . 0.7 OUTLIER 69.83 -65.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.72 -75.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 69.0 -73.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 57.84 78.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.91 -0.18 42.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.573 ' CE1' ' HB3' ' A' ' 97' ' ' ASP . 1.4 t80 -178.87 105.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.43 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -63.09 -170.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' LEU . 2.2 mt -85.04 -57.14 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -47.3 -23.43 0.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.573 ' HB3' ' CE1' ' A' ' 93' ' ' PHE . 37.3 m-20 -86.31 -37.57 18.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.54 HD23 ' CE1' ' A' ' 42' ' ' TYR . 1.9 tp -70.87 -47.91 56.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -14.56 38.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -76.23 -2.33 30.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.439 HD23 ' CE2' ' A' ' 115' ' ' PHE . 83.1 mt -103.66 -1.65 27.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -66.11 -52.55 38.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -74.97 -29.54 8.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.575 HG23 ' CE2' ' A' ' 111' ' ' TYR . 43.7 mt -63.1 -32.85 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.478 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 2.5 mt -87.14 -35.98 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.475 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 0.7 OUTLIER -68.47 -42.97 77.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' A' ' 111' ' ' TYR . 20.1 m-80 -101.71 27.75 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -44.61 -46.54 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.7 mt -55.25 -63.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 t -107.62 57.46 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.575 ' CE2' HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -97.47 -21.35 17.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 62.25 125.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.534 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -57.36 -164.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 0.9 OUTLIER 82.65 45.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.289 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.439 ' CE2' HD23 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -37.95 143.43 0.4 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.418 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -74.95 -9.38 20.82 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -128.55 162.58 26.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.69 87.87 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.451 ' HB ' ' CG2' ' A' ' 75' ' ' THR . 2.7 m -130.83 130.62 64.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -79.52 142.57 58.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.55 38.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.536 1.808 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 74' ' ' ALA . 2.9 mt -84.09 134.03 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -155.14 139.28 16.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -129.15 -156.36 8.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 76.78 3.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.794 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.33 -58.75 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.0 m -55.75 -57.86 10.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 1.067 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 13.6 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -35.47 70.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 t -67.85 -27.48 66.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.866 HD13 ' CH2' ' A' ' 19' ' ' TRP . 2.8 mt -68.49 -64.68 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 105' ' ' LEU . 72.7 mt -41.23 -28.72 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' N ' ' C ' ' A' ' 15' ' ' LEU . 2.6 mm-40 -73.31 -68.9 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -51.96 -33.39 37.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.866 ' CH2' HD13 ' A' ' 15' ' ' LEU . 6.5 m0 -67.87 -64.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.36 -22.05 9.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.08 -28.11 54.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.763 ' HB3' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -70.32 -58.96 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.776 HD11 ' HG ' ' A' ' 98' ' ' LEU . 50.7 tp -52.65 -55.78 20.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.11 -47.32 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.475 ' CG ' ' OD2' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -73.25 -55.43 6.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -37.97 -29.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . -83.2 -50.21 8.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 0.741 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.475 ' OD2' ' CG ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -40.26 -42.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -62.53 -54.3 41.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.51 -65.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.2 -64.29 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.416 ' CZ3' ' OD1' ' A' ' 28' ' ' ASP . 13.1 m0 -51.35 -74.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.3 43.26 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.403 ' NE2' ' OE1' ' A' ' 37' ' ' GLU . 8.4 mm100 -117.24 63.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.476 ' N ' HD23 ' A' ' 35' ' ' LEU . 4.9 mt -54.12 -53.78 48.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.7 t -44.88 -69.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' OE1' ' NE2' ' A' ' 34' ' ' GLN . 3.6 mt-10 -49.9 -43.8 49.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -51.97 -64.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.865 HG13 HD12 ' A' ' 84' ' ' LEU . 6.5 mt -40.88 -59.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.09 -61.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -45.32 -60.41 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.461 ' CE1' HD21 ' A' ' 98' ' ' LEU . 18.0 m-85 -50.89 -60.93 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -48.5 -64.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.422 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.1 mp -42.04 -54.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.763 HD22 ' HB3' ' A' ' 22' ' ' SER . 23.6 tp -58.59 -41.65 86.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.452 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -60.47 -52.11 66.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -44.62 57.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.422 ' CE1' HG23 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -61.74 -47.67 84.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.595 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.879 HD22 HG23 ' A' ' 70' ' ' ILE . 17.0 mt -48.07 -40.15 22.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.646 ' NE2' HD13 ' A' ' 122' ' ' ILE . 20.5 mm-40 -72.39 -51.51 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -29.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 50' ' ' GLN . 17.9 mm-40 -94.93 -34.32 12.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -70.61 -64.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 1.067 ' CZ ' HG23 ' A' ' 12' ' ' THR . 26.7 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.521 0.201 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.591 HG22 ' CD ' ' A' ' 66' ' ' GLN . 8.2 t -65.2 -165.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.492 ' N ' ' OG1' ' A' ' 63' ' ' THR . 5.0 mt-10 -85.95 -38.21 18.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 66' ' ' GLN . 1.4 pt-20 -68.3 -25.16 64.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.851 ' NE2' HD23 ' A' ' 109' ' ' LEU . 65.9 mt-30 -79.72 -68.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -39.9 -41.95 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mmpp? -42.64 -64.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.628 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.9 m -55.85 -49.82 72.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.879 HG23 HD22 ' A' ' 49' ' ' LEU . 60.7 mt -49.55 -52.12 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.92 -16.74 59.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' THR . 19.6 mttt -90.65 -55.63 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.699 ' HB ' HD13 ' A' ' 49' ' ' LEU . 63.1 mt -37.53 -42.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.37 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.493 ' HB3' ' NE2' ' A' ' 50' ' ' GLN . . . -54.22 -56.11 21.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.634 ' OG1' HD12 ' A' ' 122' ' ' ILE . 23.3 m -37.66 -58.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.535 ' SG ' HG11 ' A' ' 119' ' ' VAL . 84.9 m -47.72 -53.24 15.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.296 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.452 HD12 ' CA ' ' A' ' 46' ' ' ALA . 13.9 mt -46.87 -58.78 3.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -42.78 -27.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 77' ' ' LEU . 29.1 mt -81.09 -50.73 9.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.636 ' HD3' HD22 ' A' ' 98' ' ' LEU . 15.0 tpt85 -53.84 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.692 ' HB3' HG23 ' A' ' 39' ' ' ILE . 28.4 m -44.78 -52.41 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.0 -50.2 74.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -43.61 -40.32 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.865 HD12 HG13 ' A' ' 39' ' ' ILE . 24.6 mt -67.42 -53.84 25.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -57.23 -50.68 72.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.472 0.177 . . . . 0.0 111.061 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.468 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -106.4 -169.72 1.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.783 HD23 HD23 ' A' ' 98' ' ' LEU . 2.6 mt -77.99 -56.56 4.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 9.1 pt-20 -47.85 -46.19 30.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -64.28 -26.99 68.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.783 HD23 HD23 ' A' ' 95' ' ' LEU . 1.5 tp -81.18 -49.86 10.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -13.54 32.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -67.82 -9.46 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.244 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.673 HD13 HG23 ' A' ' 73' ' ' ILE . 16.6 mt -99.67 -19.38 16.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.667 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -47.51 -51.26 45.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.02 -49.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.471 HD12 HD23 ' A' ' 101' ' ' LEU . 16.2 mt -40.13 -63.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.662 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -39.69 -50.55 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -47.19 78.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -87.34 40.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.47 ' CG1' ' HA ' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -73.94 -45.34 49.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.851 HD23 ' NE2' ' A' ' 66' ' ' GLN . 2.0 mt -64.29 -39.85 94.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.2 t -98.96 47.74 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.4 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.628 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 67.0 t80 -110.59 107.18 16.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 113' ' ' LYS . 1.2 t30 -88.64 48.94 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.611 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 4.4 mptp? 44.17 -168.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 2.7 tt0 84.36 51.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.592 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -52.76 139.91 40.17 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.04 2.54 6.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.434 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 55.3 m-85 -135.71 165.18 26.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 111.062 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -98.53 86.42 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.535 HG11 ' SG ' ' A' ' 76' ' ' CYS . 15.6 m -135.9 120.37 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.21 151.46 83.63 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.38 4.89 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.646 HD13 ' NE2' ' A' ' 50' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.798 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 3.7 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -45.49 -45.12 13.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -56.34 -33.08 65.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.568 ' HG ' ' CE3' ' A' ' 19' ' ' TRP . 7.0 tp -68.69 -70.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.768 HD22 ' O ' ' A' ' 105' ' ' LEU . 82.4 mt -40.05 -29.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' LEU . 2.8 mt-30 -79.45 -65.72 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.442 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -47.91 -32.65 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.635 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 5.7 m0 -69.5 -63.5 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.5 -22.9 4.15 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.42 -32.36 68.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.747 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m -68.47 -65.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.853 HD11 ' HG ' ' A' ' 98' ' ' LEU . 22.3 tp -46.24 -54.94 7.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.63 -55.36 7.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -61.18 -50.48 72.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.59 -29.0 2.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.03 -48.72 12.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.53 -43.11 35.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -65.31 -50.97 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.3 OUTLIER -53.49 -61.49 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' ASP . 1.0 OUTLIER -38.2 -69.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -48.03 -70.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 108.012 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.49 43.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.118 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 12.7 mm-40 -113.88 72.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 110.347 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 35' ' ' LEU . 6.7 mt -62.19 -53.75 50.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -46.21 -66.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.15 -42.42 69.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -55.72 -57.27 12.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.2 mt -45.8 -64.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.26 -52.54 12.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -47.98 -54.66 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.572 ' O ' HD13 ' A' ' 77' ' ' LEU . 19.1 m-85 -62.94 -49.31 75.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.493 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 69.8 mt-30 -53.28 -61.58 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.529 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.1 mp -40.65 -60.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.635 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 25.1 tp -53.53 -40.58 65.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.574 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -60.75 -50.89 71.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.88 -42.84 76.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 10.1 m170 -62.86 -47.98 81.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.764 ' CD2' HG23 ' A' ' 70' ' ' ILE . 62.7 mt -49.99 -46.56 52.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.475 ' CD ' HG21 ' A' ' 122' ' ' ILE . 46.3 mt-30 -57.15 -53.18 61.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.19 -27.81 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 50' ' ' GLN . 36.0 mm-40 -94.93 -34.71 12.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -69.47 -50.58 44.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.798 ' CZ ' HG23 ' A' ' 12' ' ' THR . 59.7 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.49 0.186 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.712 HG22 ' CD ' ' A' ' 66' ' ' GLN . 5.0 t -99.03 161.05 13.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -43.26 -54.87 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 32.3 mt-10 -45.24 -51.09 11.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.712 ' CD ' HG22 ' A' ' 63' ' ' THR . 6.8 mt-30 -59.99 -68.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.637 ' HA ' HD12 ' A' ' 70' ' ' ILE . 9.7 mtpt -46.43 -32.89 3.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' CG ' ' HE2' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -60.88 -56.71 17.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.56 -45.87 81.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.764 HG23 ' CD2' ' A' ' 49' ' ' LEU . 95.5 mt -41.22 -39.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.04 -59.76 7.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 0.9 OUTLIER -40.87 -43.57 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.542 HD13 ' HG ' ' A' ' 105' ' ' LEU . 35.0 mt -52.35 -55.94 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -52.71 -55.11 25.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.419 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 1.1 m -38.7 -52.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.834 ' HA ' HD22 ' A' ' 79' ' ' LEU . 94.1 m -54.02 -55.93 22.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 108.237 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.574 HD12 ' HB2' ' A' ' 46' ' ' ALA . 8.0 mt -38.23 -62.34 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -39.64 -44.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.834 HD22 ' HA ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -65.54 -52.34 53.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 12.6 tpt180 -53.23 -56.54 15.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.7 m -49.38 -62.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' ALA . . . -51.73 -50.21 61.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -39.96 -38.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 84' ' ' LEU . 5.3 mt -70.86 -53.0 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -53.78 -39.58 65.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.599 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.498 0.19 . . . . 0.0 110.98 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 -169.13 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.968 HD23 HD23 ' A' ' 98' ' ' LEU . 1.8 mt -80.87 -51.92 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.49 -52.86 43.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.511 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 37.4 m-20 -61.25 -24.28 66.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.968 HD23 HD23 ' A' ' 95' ' ' LEU . 1.8 tp -79.9 -49.98 11.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.252 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.582 ' HD2' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -60.64 -16.39 38.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -72.59 -7.02 48.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.556 HD23 HD12 ' A' ' 104' ' ' ILE . 18.8 mt -97.53 -4.73 37.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.506 ' CG ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -68.67 -51.18 22.28 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.04 -31.52 6.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.556 HD12 HD23 ' A' ' 101' ' ' LEU . 70.0 mt -59.18 -45.05 93.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.768 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -67.84 -33.28 74.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -52.95 15.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 111' ' ' TYR . 44.7 m-80 -92.41 26.14 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -44.9 -45.03 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.661 HD23 ' NE2' ' A' ' 66' ' ' GLN . 1.3 mt -68.82 -55.88 9.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.447 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 3.2 t -91.74 46.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.514 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.1 OUTLIER -113.55 129.47 56.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -70.1 129.88 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.476 ' CE ' ' HA ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -63.66 -174.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 70.8 70.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.552 ' CD2' ' CG2' ' A' ' 119' ' ' VAL . 0.3 OUTLIER -37.26 147.14 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.543 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.5 Cg_endo -74.95 -35.0 3.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 119' ' ' VAL . 20.0 m-85 -98.57 151.39 20.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.51 92.82 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.767 HG11 ' SG ' ' A' ' 76' ' ' CYS . 4.0 m -147.67 127.84 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.4 160.08 40.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.08 23.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.475 HG21 ' CD ' ' A' ' 50' ' ' GLN . 3.5 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.937 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 2.6 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -51.79 -50.27 61.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.406 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -63.35 -32.86 74.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.78 HD23 ' HG3' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -50.75 -42.32 57.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.697 HD22 ' O ' ' A' ' 105' ' ' LEU . 90.7 mt -52.89 -22.92 6.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' ARG . 26.0 mm-40 -83.23 -73.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.78 ' HG3' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -36.58 -47.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -57.63 -67.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 108.033 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.37 -35.36 20.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.22 90.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -63.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.87 HD11 ' HG ' ' A' ' 98' ' ' LEU . 49.9 tp -47.39 -58.15 4.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.85 -59.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -58.21 -47.6 82.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.61 -34.11 13.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.37 -42.17 37.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.45 0.736 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -47.58 69.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 48.6 m-85 -60.98 -54.95 38.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.72 -58.5 5.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.23 -65.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -53.05 -66.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.008 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.22 45.82 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -114.96 66.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 35' ' ' LEU . 7.0 mt -52.96 -61.29 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.759 HG13 ' H ' ' A' ' 37' ' ' GLU . 1.2 p -40.76 -71.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.759 ' H ' HG13 ' A' ' 36' ' ' VAL . 1.5 mt-10 -48.33 -46.19 36.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -52.8 -64.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.648 HG13 HD12 ' A' ' 84' ' ' LEU . 5.0 mt -41.16 -54.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.509 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -45.78 -54.53 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -50.74 -69.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.581 ' CE1' HD21 ' A' ' 98' ' ' LEU . 21.1 m-85 -43.95 -66.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.531 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 37.2 mt-30 -39.72 -65.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -41.42 -56.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.8 tp -56.33 -40.32 74.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -57.83 -50.05 74.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -58.68 -48.55 80.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 11.9 m170 -53.45 -53.37 52.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.57 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.649 HD22 HG23 ' A' ' 70' ' ' ILE . 60.8 mt -42.2 -48.03 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.82 ' CD ' HG21 ' A' ' 122' ' ' ILE . 37.1 mt-30 -58.07 -47.73 82.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -40.15 -31.9 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 50' ' ' GLN . 72.4 mm-40 -95.91 -35.98 11.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -68.73 -66.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.28 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.937 ' CZ ' HG23 ' A' ' 12' ' ' THR . 67.8 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.476 0.179 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.447 HG22 ' OE1' ' A' ' 66' ' ' GLN . 9.7 t -98.23 164.37 12.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.12 -56.28 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -44.83 -61.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.447 ' OE1' HG22 ' A' ' 63' ' ' THR . 1.3 mp0 -51.17 -56.65 11.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -47.92 -54.68 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -41.96 -62.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.546 HG22 HD11 ' A' ' 108' ' ' ILE . 0.9 OUTLIER -56.67 -54.96 40.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.649 HG23 HD22 ' A' ' 49' ' ' LEU . 91.8 mt -39.6 -44.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.89 -43.66 49.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 69' ' ' THR . 14.7 mttt -57.82 -31.74 66.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.564 ' HB ' HD13 ' A' ' 49' ' ' LEU . 50.4 mt -64.19 -50.54 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.445 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -54.64 -46.31 73.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.483 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 2.1 m -46.2 -52.69 11.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.37 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.979 ' SG ' HG11 ' A' ' 119' ' ' VAL . 69.8 m -53.99 -51.34 64.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 108.256 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.509 HD12 ' CA ' ' A' ' 46' ' ' ALA . 14.9 mt -45.69 -58.97 3.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -43.31 -29.67 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.87 -54.12 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 20.4 tpt180 -52.07 -58.74 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.55 ' HB3' HG23 ' A' ' 39' ' ' ILE . 48.4 m -51.36 -50.84 58.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.91 -48.24 82.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -43.79 -51.16 7.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.648 HD12 HG13 ' A' ' 39' ' ' ILE . 23.3 mt -53.61 -48.77 68.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -60.36 -40.29 90.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.595 ' CZ ' ' CG ' ' A' ' 97' ' ' ASP . 1.3 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.468 0.175 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.437 ' CD ' ' CG ' ' A' ' 96' ' ' GLU . 1.5 ptpt -110.64 -169.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.789 HD23 HD23 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -83.85 -50.54 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.437 ' CG ' ' CD ' ' A' ' 94' ' ' LYS . 10.5 pt-20 -47.93 -52.95 17.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.615 ' OD1' ' CE2' ' A' ' 117' ' ' PHE . 20.4 t0 -55.43 -37.57 67.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.87 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.2 tp -69.22 -61.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -20.19 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -68.46 -10.99 59.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.486 HD13 HG23 ' A' ' 73' ' ' ILE . 50.7 mt -97.28 -7.96 30.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.537 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -63.61 -49.76 75.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.03 -41.72 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 108' ' ' ILE . 7.5 mt -51.84 -46.11 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.697 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -59.35 -33.53 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -78.82 -40.58 32.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -89.35 16.35 7.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.546 HD11 HG22 ' A' ' 69' ' ' THR . 0.4 OUTLIER -50.32 -50.74 20.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.7 mt -57.68 -53.69 55.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.5 t -86.65 44.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.602 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 50.3 t80 -105.34 115.0 29.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 113' ' ' LYS . 34.0 m120 -88.74 44.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.602 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 4.2 mttt 44.32 -166.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 73.45 76.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.86 146.01 77.26 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.07 19.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.615 ' CE2' ' OD1' ' A' ' 97' ' ' ASP . 70.1 m-85 -120.88 177.7 5.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -106.18 94.29 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.979 HG11 ' SG ' ' A' ' 76' ' ' CYS . 18.8 m -139.0 131.96 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.88 145.1 73.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.74 34.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.82 HG21 ' CD ' ' A' ' 50' ' ' GLN . 4.7 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -46.96 -42.25 17.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -36.66 50.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HG ' ' CE3' ' A' ' 19' ' ' TRP . 8.5 tp -67.42 -66.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.42 HD22 ' HB ' ' A' ' 108' ' ' ILE . 72.9 mt -42.3 -28.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' N ' ' C ' ' A' ' 15' ' ' LEU . 21.7 mm-40 -80.5 -68.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.495 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -44.55 -34.75 2.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.784 ' HB3' HD13 ' A' ' 105' ' ' LEU . 4.6 m0 -64.91 -60.98 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 108.011 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.67 -35.35 62.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.71 73.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.8 m -66.81 -62.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.794 HD11 ' HG ' ' A' ' 98' ' ' LEU . 58.3 tp -49.5 -58.48 5.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.425 ' NE ' ' OE2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -42.88 -60.93 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -53.5 -34.0 56.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.5 -30.68 78.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.411 ' HB2' ' HD2' ' A' ' 99' ' ' LYS . . . -76.82 -28.34 55.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -49.1 77.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CE1' ' OE1' ' A' ' 37' ' ' GLU . 27.9 m-85 -61.35 -52.37 64.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -45.31 -61.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.64 -72.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 3.2 m0 -48.53 -72.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 107.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 152.41 43.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.49 ' CB ' ' HB3' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -108.5 49.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.323 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.516 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 4.3 mt -42.52 -52.2 4.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.752 HG13 ' H ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -40.68 -72.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.752 ' H ' HG13 ' A' ' 36' ' ' VAL . 12.5 mt-10 -51.11 -40.65 58.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -53.37 -54.78 31.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.623 HG23 ' HB3' ' A' ' 81' ' ' SER . 6.2 mt -54.69 -47.35 73.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.482 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -55.16 -56.2 22.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -49.76 -66.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.736 ' CE1' HD21 ' A' ' 98' ' ' LEU . 21.5 m-85 -45.21 -64.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.627 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 62.7 mt-30 -41.74 -64.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -41.36 -62.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.536 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 14.8 tp -51.14 -39.16 55.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -58.79 -48.93 79.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -58.51 -46.92 85.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -55.33 -54.61 41.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.666 HD13 ' HB ' ' A' ' 73' ' ' ILE . 49.0 mt -40.63 -42.13 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.632 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 71.0 mt-30 -63.15 -51.29 67.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.87 -31.41 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 50' ' ' GLN . 8.7 mm-40 -96.02 -34.52 11.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.632 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -68.48 -58.97 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 50' ' ' GLN . 7.3 pt20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.473 0.178 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.53 HG22 ' CD ' ' A' ' 66' ' ' GLN . 9.8 t -86.19 165.35 16.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -47.23 -44.13 22.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 68' ' ' LYS . 49.0 mt-10 -59.26 -66.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.53 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -38.19 -62.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.345 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.609 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -51.96 -40.7 61.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -45.15 -48.82 12.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER -68.81 -46.68 68.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.354 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 67' ' ' LYS . 18.3 mt -39.32 -50.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.498 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -68.18 -49.42 46.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.509 ' HB3' HG23 ' A' ' 119' ' ' VAL . 76.7 mttt -49.51 -34.49 17.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.821 HD13 ' HG ' ' A' ' 105' ' ' LEU . 77.0 mt -63.64 -54.91 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.464 ' HB3' HD13 ' A' ' 122' ' ' ILE . . . -46.63 -49.39 19.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.402 ' OG1' HD11 ' A' ' 122' ' ' ILE . 2.1 m -46.25 -54.42 8.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.457 ' SG ' HG21 ' A' ' 119' ' ' VAL . 93.1 m -52.12 -52.03 54.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 46' ' ' ALA . 11.0 mt -44.63 -61.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -40.58 -32.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.7 mt -74.76 -56.8 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.621 ' CZ ' HD21 ' A' ' 84' ' ' LEU . 23.1 tpt180 -50.18 -66.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.623 ' HB3' HG23 ' A' ' 39' ' ' ILE . 58.6 m -40.22 -58.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 85' ' ' GLN . . . -55.18 -52.47 63.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -40.77 -35.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.621 HD21 ' CZ ' ' A' ' 80' ' ' ARG . 22.7 mt -73.11 -51.11 19.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 82' ' ' ALA . 11.9 mt-30 -59.72 -53.04 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.581 ' CZ ' ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.526 0.203 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.468 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -107.08 -170.15 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.724 HD12 HD23 ' A' ' 98' ' ' LEU . 24.2 tp -79.11 -54.28 6.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 10.1 pt-20 -49.79 -44.08 48.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.46 ' HB3' ' CE1' ' A' ' 117' ' ' PHE . 74.7 m-20 -66.15 -26.24 67.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.794 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.8 tp -78.08 -46.65 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.411 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -64.28 -13.1 47.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -70.52 -7.43 43.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.719 HD13 HG23 ' A' ' 73' ' ' ILE . 60.6 mt -102.67 -7.07 22.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -63.05 -50.31 77.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -74.96 -35.55 3.11 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.707 HG23 ' CD2' ' A' ' 111' ' ' TYR . 64.6 mt -57.14 -44.28 83.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.821 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.5 mt -71.77 -35.34 70.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -67.25 -53.58 28.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 111' ' ' TYR . 32.0 m-80 -92.02 31.34 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.715 HG13 HD23 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -48.39 -42.65 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.43 -48.73 71.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.433 HG23 ' OD1' ' A' ' 107' ' ' ASN . 1.7 t -109.2 55.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.707 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.1 OUTLIER -107.08 140.19 40.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -73.12 118.12 15.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.503 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -63.45 -167.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.8 tt0 84.68 -45.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.4 OUTLIER 65.71 137.55 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.01 -46.1 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.581 ' CE1' ' CZ ' ' A' ' 93' ' ' PHE . 94.0 m-85 -77.67 135.82 38.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -74.06 66.46 1.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.509 HG23 ' HB3' ' A' ' 72' ' ' LYS . 16.8 m -121.27 141.57 41.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -98.84 167.55 11.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.83 14.79 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.532 HG21 ' CD ' ' A' ' 50' ' ' GLN . 1.4 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 1.043 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 67.7 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.18 -36.43 63.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m -72.81 -26.57 61.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.702 HD13 ' CH2' ' A' ' 19' ' ' TRP . 4.3 mt -71.29 -62.64 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.624 HD21 ' CG2' ' A' ' 108' ' ' ILE . 33.3 mt -43.95 -27.08 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' A' ' 15' ' ' LEU . 7.3 mm100 -85.47 -70.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.488 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -42.81 -34.84 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.778 ' HB3' HD22 ' A' ' 105' ' ' LEU . 8.5 m0 -66.99 -67.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 107.968 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.41 -33.29 3.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.77 99.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.454 ' HB2' HD22 ' A' ' 45' ' ' LEU . 26.0 m -58.9 -65.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.832 HD11 ' HG ' ' A' ' 98' ' ' LEU . 36.0 tp -43.39 -58.53 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 7.2 mmt180 -44.3 -64.11 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -51.93 -51.16 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.263 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.27 -28.88 1.51 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 24' ' ' ARG . . . -80.12 -50.32 10.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -43.21 -47.93 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -62.38 -60.36 3.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -46.78 -59.01 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -39.01 -73.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.951 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -46.16 -72.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.056 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.57 43.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.548 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 9.6 mm-40 -112.67 73.6 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 39' ' ' ILE . 9.5 mt -63.49 -50.89 67.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.1 t -50.15 -68.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -41.1 64.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -56.68 -64.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.946 HG13 HD12 ' A' ' 84' ' ' LEU . 4.8 mt -41.95 -59.47 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.452 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -41.75 -55.5 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -48.54 -69.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.409 ' CE1' HD21 ' A' ' 98' ' ' LEU . 19.9 m-85 -43.85 -67.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.659 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 45.6 mt-30 -39.08 -64.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 45' ' ' LEU . 1.1 mp -41.63 -61.94 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.537 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 16.0 tp -51.22 -35.93 39.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -62.57 -48.6 78.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -49.85 74.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -52.98 -55.22 25.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.61 HD21 HD21 ' A' ' 105' ' ' LEU . 68.1 mt -41.0 -56.64 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.501 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 30.0 mt-30 -47.17 -49.04 23.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.72 -29.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.613 ' HB2' HG21 ' A' ' 70' ' ' ILE . 2.5 mt-10 -94.79 -38.66 10.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -64.04 -49.55 71.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 1.043 ' CZ ' HG23 ' A' ' 12' ' ' THR . 9.8 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.494 0.188 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.532 HG22 ' CD ' ' A' ' 66' ' ' GLN . 7.4 t -65.42 179.15 0.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -68.18 -38.61 82.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.417 ' CA ' ' HE2' ' A' ' 113' ' ' LYS . 0.7 OUTLIER -62.73 -41.12 99.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.606 ' CD ' HD23 ' A' ' 109' ' ' LEU . 5.5 mt-30 -68.12 -55.79 11.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.701 ' HA ' HD12 ' A' ' 70' ' ' ILE . 3.8 mtpt -49.1 -52.62 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -43.52 -58.6 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.57 ' OG1' ' CE1' ' A' ' 111' ' ' TYR . 2.5 m -57.06 -52.46 65.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 67' ' ' LYS . 71.1 mt -41.37 -47.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.627 ' O ' HD13 ' A' ' 122' ' ' ILE . . . -66.55 -39.89 94.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 3.0 mttt -61.81 -31.07 71.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.935 HD13 ' HG ' ' A' ' 105' ' ' LEU . 89.5 mt -66.69 -53.22 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -50.42 -52.27 39.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.404 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 1.2 m -38.77 -59.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.751 ' HA ' HD22 ' A' ' 79' ' ' LEU . 62.3 m -46.97 -57.24 5.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.578 HD12 ' CA ' ' A' ' 46' ' ' ALA . 5.6 mt -37.99 -63.76 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.67 -43.57 2.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -66.03 -50.97 62.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 22.5 tpt180 -58.13 -63.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.67 ' HB3' HG23 ' A' ' 39' ' ' ILE . 74.0 m -39.99 -55.56 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.33 -50.53 73.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -40.57 -43.08 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.946 HD12 HG13 ' A' ' 39' ' ' ILE . 11.1 mt -60.99 -54.14 48.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -52.63 -42.02 64.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.543 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.491 0.186 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.54 -168.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.788 HD23 HD23 ' A' ' 98' ' ' LEU . 1.2 mt -82.22 -51.39 7.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.49 -48.54 65.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -62.41 -28.94 70.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.832 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.6 tp -74.15 -51.92 14.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -57.21 -17.59 12.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -5.24 35.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.743 HD23 HD12 ' A' ' 104' ' ' ILE . 56.5 mt -98.91 -3.01 36.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -67.02 -49.95 44.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.4 Cg_endo -74.99 -33.34 4.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.743 HD12 HD23 ' A' ' 101' ' ' LEU . 96.8 mt -60.27 -51.38 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.935 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -65.13 -32.51 74.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.248 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -70.75 -55.55 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 111' ' ' TYR . 31.8 m-80 -92.47 25.91 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.624 ' CG2' HD21 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -45.14 -35.27 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.606 HD23 ' CD ' ' A' ' 66' ' ' GLN . 29.4 mt -76.32 -55.19 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -97.35 48.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.57 ' CE1' ' OG1' ' A' ' 69' ' ' THR . 0.0 OUTLIER -107.93 134.47 50.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.26 134.3 49.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.417 ' HE2' ' CA ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -66.11 -171.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 62.33 71.24 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.55 ' CD2' ' CG2' ' A' ' 119' ' ' VAL . 0.2 OUTLIER -37.21 150.48 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.484 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.03 -16.48 20.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -120.48 158.36 27.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -78.02 85.48 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.55 ' CG2' ' CD2' ' A' ' 115' ' ' PHE . 3.7 m -135.58 130.54 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.49 158.31 51.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 127.07 10.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.627 HD13 ' O ' ' A' ' 71' ' ' GLY . 1.2 mp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -37.21 65.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -31.01 71.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.31 -48.34 61.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.252 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.533 HD11 ' HG ' ' A' ' 109' ' ' LEU . 30.1 mt -55.77 -18.64 8.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' ALA . 1.1 mt-30 -86.33 -64.39 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -48.8 -30.46 5.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.552 ' CZ2' ' HG3' ' A' ' 52' ' ' GLU . 2.9 m0 -70.54 -63.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 108.031 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.25 -19.72 47.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 17' ' ' GLN . . . -76.94 -24.57 52.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -77.4 -59.15 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.897 HD11 ' HG ' ' A' ' 98' ' ' LEU . 32.8 tp -53.94 -59.16 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -40.33 -52.86 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -61.79 -48.4 80.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.538 ' HA3' ' CE1' ' A' ' 42' ' ' TYR . . . -45.01 -30.39 2.46 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.504 ' HB2' ' HD2' ' A' ' 99' ' ' LYS . . . -79.73 -44.17 21.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 32' ' ' TRP . 1.2 m-20 -54.57 -35.08 62.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -73.11 -54.92 7.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -50.32 -58.69 5.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -38.95 -67.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.0 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CD2' ' O ' ' A' ' 28' ' ' ASP . 9.8 m0 -51.47 -71.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.25 43.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 15.1 mm-40 -113.04 71.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.42 -51.27 70.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -48.56 -68.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.48 -38.25 63.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -59.8 -57.23 13.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.726 HG13 HD12 ' A' ' 84' ' ' LEU . 7.6 mt -53.02 -60.45 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.418 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -47.09 -54.33 10.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -48.1 -48.45 33.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.538 ' CE1' ' HA3' ' A' ' 26' ' ' GLY . 20.4 m-85 -66.95 -63.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 40.3 mt-30 -42.8 -61.6 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.512 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.3 mp -41.45 -54.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.523 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 7.0 tp -61.82 -42.79 99.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.49 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -53.75 -45.98 70.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -63.04 -43.4 98.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.512 ' CE1' HG23 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -58.71 -51.68 68.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.574 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 105' ' ' LEU . 63.5 mt -42.71 -40.93 2.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.547 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 2.9 mt-30 -63.25 -52.47 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -29.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.552 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 11.9 mm-40 -96.34 -29.98 13.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -76.74 -64.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' GLN . 4.9 pt20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.448 0.166 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.515 HG23 ' HG2' ' A' ' 65' ' ' GLU . 1.7 t -65.55 174.65 2.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.375 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.439 ' N ' ' OG1' ' A' ' 63' ' ' THR . 2.4 tt0 -63.05 -52.58 62.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 63' ' ' THR . 9.9 pt-20 -53.67 -22.52 9.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.468 ' HG3' ' CG2' ' A' ' 63' ' ' THR . 79.7 mt-30 -80.38 -68.79 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -44.83 -41.78 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -48.37 -48.33 36.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.712 HG22 HD11 ' A' ' 108' ' ' ILE . 1.2 m -73.2 -54.85 7.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.5 ' HA ' HD12 ' A' ' 73' ' ' ILE . 86.9 mt -41.43 -49.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.38 -40.69 94.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -61.52 -40.88 96.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.923 HD13 ' HG ' ' A' ' 105' ' ' LEU . 97.1 mt -50.55 -52.86 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -53.44 -55.79 22.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.581 HG21 ' HB ' ' A' ' 119' ' ' VAL . 0.9 OUTLIER -38.29 -53.5 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 110.381 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 93' ' ' PHE . 92.1 m -52.61 -52.06 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 108.288 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.49 HD12 ' CA ' ' A' ' 46' ' ' ALA . 14.8 mt -44.13 -59.45 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -42.45 -27.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 76' ' ' CYS . 23.1 mt -79.88 -55.62 4.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.483 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 21.0 tpt180 -52.35 -60.31 3.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.576 ' HB3' HG23 ' A' ' 39' ' ' ILE . 70.9 m -44.01 -59.52 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.047 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.51 -51.31 65.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -41.22 -38.08 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.726 HD12 HG13 ' A' ' 39' ' ' ILE . 16.4 mt -69.8 -53.47 18.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -55.49 -39.51 70.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.493 0.187 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.413 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -108.75 -169.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.64 HD12 HD23 ' A' ' 98' ' ' LEU . 15.0 tp -79.93 -54.35 5.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 0.6 OUTLIER -51.16 -31.97 21.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.437 ' N ' ' HG3' ' A' ' 96' ' ' GLU . 65.0 m-20 -78.82 -28.53 44.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.897 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -79.06 -45.47 20.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.504 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -64.37 -12.19 40.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.465 ' HD2' ' CG ' ' A' ' 116' ' ' PRO . 0.1 OUTLIER -69.1 -10.54 58.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.506 HD11 ' CB ' ' A' ' 76' ' ' CYS . 11.8 mt -104.82 5.62 33.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.563 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -75.1 -49.48 4.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.02 -34.89 3.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 107' ' ' ASN . 14.6 mt -58.13 -61.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.923 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.9 mt -42.51 -36.22 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -45.91 32.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' TYR . 5.9 m-20 -89.93 33.85 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.712 HD11 HG22 ' A' ' 69' ' ' THR . 1.0 OUTLIER -77.54 -32.35 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.533 ' HG ' HD11 ' A' ' 16' ' ' LEU . 26.3 mt -60.06 -51.13 70.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.551 HG23 ' N ' ' A' ' 111' ' ' TYR . 9.0 t -91.23 -55.96 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.438 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.616 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 7.1 t80 45.05 -176.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 113' ' ' LYS . 0.7 OUTLIER -168.45 33.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.5 OUTLIER 39.25 -157.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.81 34.53 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.499 ' HZ ' HD22 ' A' ' 101' ' ' LEU . 0.5 OUTLIER -39.55 147.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.537 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.5 Cg_endo -74.98 -2.13 12.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.537 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 46.0 m-85 -133.93 147.48 51.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -89.75 52.64 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.581 ' HB ' HG21 ' A' ' 75' ' ' THR . 7.2 m -91.35 162.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.18 157.84 33.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 129.75 12.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.4 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 37.3 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -52.34 -57.7 8.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.98 -33.9 11.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.657 HD13 ' CH2' ' A' ' 19' ' ' TRP . 1.5 mt -70.83 -57.09 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.8 mt -54.66 -19.63 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -93.41 -60.02 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -51.79 -32.48 31.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.657 ' CH2' HD13 ' A' ' 15' ' ' LEU . 8.4 m0 -67.1 -65.0 0.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.86 -26.49 4.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.55 -41.34 84.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -59.8 -64.21 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.793 HD11 ' HG ' ' A' ' 98' ' ' LEU . 24.2 tp -47.85 -55.15 10.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -42.81 -50.31 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.52 -47.01 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.8 -26.09 7.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.42 -40.04 14.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.28 -43.08 87.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 25.1 m-85 -62.87 -57.3 11.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.0 -54.92 11.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -43.04 -70.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -47.05 -72.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 108.018 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.43 43.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 14.1 mm100 -115.68 72.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.503 ' N ' HD23 ' A' ' 35' ' ' LEU . 3.8 mt -63.75 -52.25 61.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.2 t -50.1 -57.69 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.577 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.8 mt-10 -62.17 -35.42 78.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -61.09 -63.57 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.619 HG13 HD12 ' A' ' 84' ' ' LEU . 4.2 mt -44.12 -54.84 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.1 t70 -41.92 -53.04 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -52.05 -65.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.515 ' CE1' HD21 ' A' ' 98' ' ' LEU . 22.3 m-30 -45.96 -62.76 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.635 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 38.8 mt-30 -45.77 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.413 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -41.44 -61.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.412 ' N ' HG22 ' A' ' 44' ' ' ILE . 15.3 tp -51.38 -36.3 42.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -63.1 -42.82 99.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.47 ' HE ' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -60.26 -46.13 90.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -57.79 -54.48 46.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 109.627 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.531 ' CD2' HG23 ' A' ' 70' ' ' ILE . 93.3 mt -41.8 -46.53 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.63 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 17.0 mt-30 -59.97 -51.4 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.34 -32.07 1.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -96.69 -26.24 15.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.63 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -79.27 -73.08 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.413 ' HA ' ' OE1' ' A' ' 66' ' ' GLN . 67.7 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.508 0.194 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.1 t -98.16 158.06 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HA ' ' CG ' ' A' ' 67' ' ' LYS . 16.1 mt-10 -39.91 -40.93 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -62.21 -50.18 72.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.634 ' NE2' HD23 ' A' ' 109' ' ' LEU . 31.2 mt-30 -61.8 -65.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.626 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -46.17 -45.53 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 67' ' ' LYS . 4.7 mmtm -40.1 -66.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.616 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 17.5 m -54.77 -55.66 27.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.448 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.656 ' HA ' HD12 ' A' ' 73' ' ' ILE . 27.5 mt -38.97 -47.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.414 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -64.36 -43.89 96.19 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' THR . 25.7 mttt -60.96 -46.46 90.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.792 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.946 HD13 ' HG ' ' A' ' 105' ' ' LEU . 46.0 mt -49.54 -53.46 9.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -51.33 -58.63 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.495 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 1.3 m -38.5 -50.15 1.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.812 ' SG ' HG11 ' A' ' 119' ' ' VAL . 99.0 m -55.42 -53.36 57.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.528 HD12 ' CA ' ' A' ' 46' ' ' ALA . 10.0 mt -41.94 -62.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -38.99 -33.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 76' ' ' CYS . 23.9 mt -73.14 -57.68 3.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.677 ' NH2' HD13 ' A' ' 95' ' ' LEU . 29.8 tpt180 -46.73 -67.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.581 ' HB3' HG23 ' A' ' 39' ' ' ILE . 68.9 m -44.77 -66.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -43.04 -55.37 3.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -41.82 -46.5 3.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.619 HD12 HG13 ' A' ' 39' ' ' ILE . 9.2 mt -61.72 -54.06 47.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -52.57 -47.23 66.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.497 0.189 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -107.72 -169.86 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.677 HD13 ' NH2' ' A' ' 80' ' ' ARG . 13.5 tp -78.04 -54.69 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 9.1 pt-20 -48.65 -40.02 26.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 96' ' ' GLU . 55.3 m-20 -72.17 -28.99 63.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.793 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -78.06 -50.02 12.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -20.0 4.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -8.98 38.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.663 HD23 HD12 ' A' ' 104' ' ' ILE . 98.2 mt -94.78 -3.81 48.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.543 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -71.17 -49.29 12.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.5 Cg_endo -74.99 -29.03 8.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.663 HD12 HD23 ' A' ' 101' ' ' LEU . 18.3 mt -63.46 -70.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.946 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.1 mt -42.62 -32.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -46.52 19.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 104' ' ' ILE . 5.3 m-80 -88.39 22.45 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -51.82 -51.08 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.634 HD23 ' NE2' ' A' ' 66' ' ' GLN . 30.8 mt -62.49 -42.65 99.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.437 HG23 ' OD1' ' A' ' 107' ' ' ASN . 1.4 t -96.98 46.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.616 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 45.6 t80 -108.12 120.53 42.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 113' ' ' LYS . 3.3 m-20 -100.13 44.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.609 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.6 OUTLIER 43.44 -166.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 3.9 tt0 82.59 48.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.602 ' CD1' ' OH ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -46.02 143.95 3.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.571 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -74.98 -12.04 21.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 19.8 m-85 -125.25 152.31 44.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -78.57 91.82 4.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.812 HG11 ' SG ' ' A' ' 76' ' ' CYS . 4.4 m -139.3 132.07 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.07 156.67 43.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 132.47 15.47 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.481 1.78 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.495 ' CD1' ' OG1' ' A' ' 75' ' ' THR . 2.3 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.56 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 98.4 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -54.83 -47.78 73.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 t -59.05 -30.85 68.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.751 HD13 ' CH2' ' A' ' 19' ' ' TRP . 1.4 mt -64.99 -53.14 50.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.48 -16.17 22.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -92.84 -56.41 3.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.44 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -56.99 -34.15 67.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.751 ' CH2' HD13 ' A' ' 15' ' ' LEU . 8.0 m0 -64.98 -62.68 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 108.041 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.4 -33.2 24.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.1 50.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.405 ' HB2' HD22 ' A' ' 45' ' ' LEU . 38.9 m -48.4 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.689 HD23 ' HB2' ' A' ' 102' ' ' GLU . 42.3 tp -41.19 -54.21 2.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.58 -61.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.46 ' CG ' ' OD2' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -56.13 -51.89 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.43 -29.0 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . -83.13 -48.76 10.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.46 ' OD2' ' CG ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -46.33 -39.88 10.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -67.01 -62.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.19 -56.44 6.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.88 -58.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -64.39 -49.47 71.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 108.026 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.06 44.31 0.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.426 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 10.1 mm-40 -111.95 72.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.245 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.415 ' O ' HD12 ' A' ' 39' ' ' ILE . 8.2 mt -62.28 -51.17 68.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.6 t -47.75 -66.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.3 -43.15 74.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -54.88 -57.92 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.73 HG23 ' HB3' ' A' ' 81' ' ' SER . 6.1 mt -45.82 -57.66 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -55.79 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -49.0 -66.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -47.19 -58.87 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 111.026 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.681 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 46.7 mt-30 -47.41 -66.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 45' ' ' LEU . 1.3 mp -41.33 -62.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.486 ' N ' HG22 ' A' ' 44' ' ' ILE . 27.3 tp -49.1 -36.89 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -61.32 -52.78 63.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -51.75 -49.32 62.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' LEU . 94.8 m-70 -52.65 -57.54 9.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 109.625 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.703 HD13 ' HB ' ' A' ' 73' ' ' ILE . 24.4 mt -40.34 -47.3 2.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.593 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 52.5 mt-30 -57.23 -50.76 71.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' GLN . 2.5 tptt -40.15 -30.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 50' ' ' GLN . 7.1 mm-40 -96.17 -36.35 10.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -67.41 -64.26 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 2.9 pt20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CZ ' HG23 ' A' ' 12' ' ' THR . 60.1 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.504 0.192 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.545 HG22 ' CD ' ' A' ' 66' ' ' GLN . 9.0 t -80.91 158.87 25.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' THR . 2.2 tt0 -39.04 -54.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' GLN . 66.8 mt-10 -52.42 -62.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.67 ' NE2' HD23 ' A' ' 109' ' ' LEU . 1.4 mt-30 -38.41 -67.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 64' ' ' GLU . 6.0 ptmm? -51.52 -40.76 60.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.9 -66.24 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.544 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.0 OUTLIER -55.05 -49.98 70.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.663 HG23 HD22 ' A' ' 49' ' ' LEU . 43.8 mt -40.39 -48.52 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -63.61 -57.71 13.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -41.76 -48.73 4.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.703 ' HB ' HD13 ' A' ' 49' ' ' LEU . 79.0 mt -47.39 -55.41 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.629 ' HB3' ' CD1' ' A' ' 122' ' ' ILE . . . -50.38 -57.69 7.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -40.55 -52.71 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.793 ' SG ' HG11 ' A' ' 119' ' ' VAL . 7.1 m -53.33 -51.2 63.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.326 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' A' ' 46' ' ' ALA . 15.9 mt -45.54 -58.44 3.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -42.91 -29.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.0 mt -76.37 -48.75 18.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.412 ' NH2' ' HB2' ' A' ' 95' ' ' LEU . 28.0 tpt180 -59.25 -67.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.73 ' HB3' HG23 ' A' ' 39' ' ' ILE . 73.2 m -40.25 -53.75 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.95 -51.9 66.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.23 -34.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.607 HD12 HG13 ' A' ' 39' ' ' ILE . 31.4 mt -72.56 -52.46 15.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -55.64 -40.25 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.586 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.509 0.195 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -105.95 -170.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.546 HD12 ' CD2' ' A' ' 98' ' ' LEU . 39.7 tp -80.43 -53.06 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 6.3 pt-20 -50.43 -53.87 26.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.476 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 67.3 m-20 -50.77 -32.91 21.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.682 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -74.87 -47.27 31.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.491 ' CD ' ' HG ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -57.87 -16.58 12.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -75.77 -1.86 27.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.565 HD22 ' HZ ' ' A' ' 115' ' ' PHE . 34.2 mt -102.57 -0.46 32.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.689 ' HB2' HD23 ' A' ' 23' ' ' LEU . 1.2 tt0 -74.35 -51.72 4.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -74.99 -29.16 8.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 111.04 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.491 HG23 ' CD1' ' A' ' 111' ' ' TYR . 20.6 mt -61.88 -42.2 93.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.633 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.8 mt -73.24 -33.91 65.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -69.53 -52.1 29.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 111' ' ' TYR . 65.4 m-20 -91.99 30.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -50.39 -49.39 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.67 HD23 ' NE2' ' A' ' 66' ' ' GLN . 29.7 mt -61.05 -47.03 88.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 t -106.29 52.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.544 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 0.7 OUTLIER -111.01 132.22 54.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.36 115.26 11.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.455 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -53.25 -173.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 115' ' ' PHE . 2.9 mt-10 67.19 66.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.343 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.565 ' HZ ' HD22 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -36.94 149.03 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.522 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.3 Cg_endo -75.04 -26.3 10.98 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.611 ' O ' HG22 ' A' ' 119' ' ' VAL . 83.0 m-85 -105.15 143.67 33.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.33 80.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.793 HG11 ' SG ' ' A' ' 76' ' ' CYS . 9.2 m -136.67 134.55 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -97.13 159.39 31.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 132.28 15.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.426 1.751 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.629 ' CD1' ' HB3' ' A' ' 74' ' ' ALA . 3.2 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.4 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -52.17 -37.61 55.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -34.83 68.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HG ' ' CZ3' ' A' ' 19' ' ' TRP . 7.6 tp -66.68 -67.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.511 ' CD1' HD11 ' A' ' 109' ' ' LEU . 90.9 mt -39.74 -29.78 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' LEU . 1.6 tt0 -83.86 -69.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.2 OUTLIER -40.51 -28.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.452 ' CZ3' ' HG ' ' A' ' 15' ' ' LEU . 6.1 m0 -69.98 -66.05 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 107.973 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.53 -35.66 29.69 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.28 -28.19 66.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.97 -43.97 32.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.812 HD11 ' HG ' ' A' ' 98' ' ' LEU . 21.1 tp -69.43 -53.37 19.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -28.29 35.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 -43.59 10.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.23 -18.72 21.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.22 -36.54 19.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.56 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . 61.7 m-20 -50.73 -44.06 58.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.529 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 26.1 m-85 -59.08 -60.48 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.6 OUTLIER -43.14 -64.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -39.35 -56.88 1.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.049 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.56 ' CZ2' ' HB3' ' A' ' 28' ' ' ASP . 16.5 m0 -61.87 -74.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 156.11 43.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -115.7 63.74 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 0.767 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 35' ' ' LEU . 6.1 mt -52.06 -53.04 46.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -45.28 -67.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.529 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.4 mt-10 -51.1 -43.8 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -52.73 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.618 HG13 HD12 ' A' ' 84' ' ' LEU . 11.8 mt -40.53 -68.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -41.03 -51.21 3.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -50.29 -57.11 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.518 ' CE1' HD21 ' A' ' 98' ' ' LEU . 21.1 m-85 -58.46 -51.53 69.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.407 ' NE2' ' CG2' ' A' ' 39' ' ' ILE . 84.0 mt-30 -52.83 -59.37 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.602 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.4 mp -44.74 -53.99 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.07 -42.85 91.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.579 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -58.89 -50.95 72.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -54.01 -47.44 71.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.602 ' CE1' HG23 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -54.37 -52.59 61.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.593 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD22 HG23 ' A' ' 70' ' ' ILE . 77.5 mt -40.57 -51.22 2.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.551 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 7.4 mt-30 -52.07 -49.11 64.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLN . 3.8 tptt -40.1 -30.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.571 ' HB2' HG21 ' A' ' 70' ' ' ILE . 17.4 mm-40 -95.82 -38.02 10.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.551 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -66.3 -62.22 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' GLN . 2.8 pt20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.476 0.179 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.664 HG23 ' HG2' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -76.44 156.91 32.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.65 -55.62 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.664 ' HG2' HG23 ' A' ' 63' ' ' THR . 7.6 pt-20 -43.38 -42.01 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.415 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 31.0 mt-30 -70.9 -55.82 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -52.59 -44.5 65.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -44.15 71.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.525 HG22 HD11 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -74.49 -49.06 23.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.571 HG21 ' HB2' ' A' ' 52' ' ' GLU . 58.3 mt -39.83 -43.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.45 -55.01 20.0 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.434 1.084 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -47.69 -42.54 25.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.773 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.855 HD13 ' HG ' ' A' ' 105' ' ' LEU . 68.2 mt -51.44 -41.45 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.609 ' HB3' HD13 ' A' ' 122' ' ' ILE . . . -67.7 -50.57 56.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.439 ' N ' HD13 ' A' ' 122' ' ' ILE . 54.1 m -37.61 -51.27 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.437 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.842 ' HA ' HD22 ' A' ' 79' ' ' LEU . 92.7 m -55.11 -55.4 31.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 108.335 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.579 HD12 ' HB2' ' A' ' 46' ' ' ALA . 7.5 mt -38.2 -62.75 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -39.06 -44.44 1.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.842 HD22 ' HA ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -65.12 -49.53 69.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' A' ' 94' ' ' LYS . 14.4 tpt180 -57.62 -61.26 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.529 ' HB3' HG23 ' A' ' 39' ' ' ILE . 3.6 m -45.02 -49.63 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.25 -51.63 65.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -40.85 -43.94 2.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.618 HD12 HG13 ' A' ' 39' ' ' ILE . 17.8 mt -58.79 -52.23 66.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -58.14 -50.51 73.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.572 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.52 0.2 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.423 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -108.44 -169.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.773 HD23 HD23 ' A' ' 98' ' ' LEU . 1.7 mt -80.99 -51.56 8.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.406 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 8.7 pt-20 -52.04 -46.03 64.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -65.91 -30.49 71.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.812 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.4 tp -73.81 -55.13 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -16.88 17.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.91 -8.02 45.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.925 HD23 HD12 ' A' ' 104' ' ' ILE . 81.0 mt -99.19 -9.52 23.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.642 ' HG2' HD23 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -59.31 -49.37 93.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.01 -34.68 3.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.925 HD12 HD23 ' A' ' 101' ' ' LEU . 66.9 mt -59.76 -49.1 85.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.855 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.6 mt -66.33 -35.05 79.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.15 -57.05 6.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 111' ' ' TYR . 7.1 m-80 -92.54 31.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.525 HD11 HG22 ' A' ' 69' ' ' THR . 0.3 OUTLIER -48.5 -32.53 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.511 HD11 ' CD1' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -76.05 -55.33 5.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.3 t -98.33 45.78 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.541 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 0.3 OUTLIER -105.37 144.27 32.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.958 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.96 113.43 15.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.541 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -60.69 -166.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.7 tm-20 84.18 -44.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.2 OUTLIER 70.94 137.25 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.511 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.4 Cg_endo -74.98 -44.38 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -79.29 -33.02 43.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.34 90.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.764 HG21 ' SG ' ' A' ' 76' ' ' CYS . 3.8 m -127.07 122.55 60.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' VAL . 0.6 OUTLIER -37.92 156.28 0.1 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 149.9 37.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 74' ' ' ALA . 1.2 tp . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.527 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 3.9 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -39.84 69.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.76 -29.85 70.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.75 HD22 ' CE2' ' A' ' 19' ' ' TRP . 5.3 mt -70.17 -68.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' LEU . 43.0 mt -40.5 -29.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 15' ' ' LEU . 1.2 tt0 -86.26 -68.07 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.446 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -44.09 -34.17 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.75 ' CE2' HD22 ' A' ' 15' ' ' LEU . 10.0 m0 -68.66 -64.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.79 -25.41 4.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.05 -36.7 61.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 19' ' ' TRP . 0.6 OUTLIER -62.42 -57.76 10.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.719 HD11 ' HG ' ' A' ' 98' ' ' LEU . 57.7 tp -53.48 -60.58 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.73 -55.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' ASP . 4.2 ttt180 -57.77 -46.87 83.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.13 -32.67 9.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.9 -34.95 59.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.563 ' OD1' ' CZ2' ' A' ' 32' ' ' TRP . 1.8 t0 -51.48 -53.07 41.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.517 ' HB3' ' CB ' ' A' ' 34' ' ' GLN . 62.4 m-85 -62.69 -54.17 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -46.57 -60.81 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.26 -72.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.563 ' CZ2' ' OD1' ' A' ' 28' ' ' ASP . 12.1 m0 -47.03 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.38 43.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.517 ' CB ' ' HB3' ' A' ' 29' ' ' PHE . 11.8 mt-30 -111.18 49.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.741 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.493 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 5.1 mt -39.98 -55.56 2.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.745 HG13 ' H ' ' A' ' 37' ' ' GLU . 1.1 p -40.31 -72.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.745 ' H ' HG13 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -50.64 -44.87 57.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -48.55 -64.18 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 81' ' ' SER . 14.4 mt -45.06 -57.29 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.65 -65.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' CD ' ' C ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER -43.22 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.485 ' HE1' HD12 ' A' ' 23' ' ' LEU . 19.3 m-85 -42.49 -65.24 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.588 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 29.6 mt-30 -41.87 -67.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 45' ' ' LEU . 1.1 mp -40.23 -59.7 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 22.7 tp -53.64 -40.02 65.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.646 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -57.67 -46.6 84.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.24 -52.92 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.421 ' CE1' HG23 ' A' ' 44' ' ' ILE . 66.7 m80 -48.75 -51.32 29.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.52 HD22 HG23 ' A' ' 70' ' ' ILE . 76.8 mt -44.34 -44.58 8.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.524 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 14.9 mt-30 -56.89 -50.58 72.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.97 -28.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.587 ' OE1' ' CD1' ' A' ' 62' ' ' PHE . 2.2 mt-10 -96.0 -35.65 11.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -69.84 -59.07 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' GLN . 3.8 pt20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.587 ' CD1' ' OE1' ' A' ' 52' ' ' GLU . 27.6 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.563 0.22 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.472 HG23 ' H ' ' A' ' 66' ' ' GLN . 10.1 t -72.4 -168.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.441 ' N ' ' OG1' ' A' ' 63' ' ' THR . 4.9 mt-10 -82.33 -42.4 18.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -64.95 -22.33 66.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.472 ' H ' HG23 ' A' ' 63' ' ' THR . 71.6 mt-30 -82.54 -65.87 0.96 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -43.63 3.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -43.59 -64.19 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.02 -50.79 69.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.386 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.618 ' HA ' HD12 ' A' ' 73' ' ' ILE . 18.8 mt -40.21 -46.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.2 -44.28 67.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -58.3 -34.99 71.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.946 HD13 ' HG ' ' A' ' 105' ' ' LEU . 94.8 mt -57.26 -53.44 43.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -56.02 -55.12 36.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.545 ' OG1' HD12 ' A' ' 122' ' ' ILE . 2.7 m -38.58 -52.97 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.911 ' SG ' HG11 ' A' ' 119' ' ' VAL . 88.9 m -52.83 -49.76 65.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 108.287 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.646 HD12 ' HB2' ' A' ' 46' ' ' ALA . 18.3 mt -46.59 -57.09 5.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.86 -25.82 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.288 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 77' ' ' LEU . 19.7 mt -81.36 -54.31 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.425 ' CZ ' HD21 ' A' ' 84' ' ' LEU . 32.3 tpt180 -56.01 -65.43 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.61 ' HB3' HG23 ' A' ' 39' ' ' ILE . 72.6 m -41.6 -53.52 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.82 -49.42 77.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.74 -37.84 14.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.425 HD21 ' CZ ' ' A' ' 80' ' ' ARG . 30.2 mt -68.18 -49.56 60.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.414 ' HG3' ' CD1' ' A' ' 39' ' ' ILE . 17.7 mt-30 -62.54 -50.48 71.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 109.976 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.475 0.178 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.488 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -54.26 -171.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.359 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.475 ' HG ' ' CD ' ' A' ' 99' ' ' LYS . 18.2 tp -80.57 -59.18 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.488 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 12.5 pt-20 -45.64 -44.4 13.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.487 ' CG ' ' CE1' ' A' ' 117' ' ' PHE . 18.7 m-20 -55.49 -35.01 65.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.719 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -74.67 -51.37 14.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.475 ' CD ' ' HG ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -53.47 -21.21 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 96' ' ' GLU . 11.1 mmtt -69.33 -8.28 44.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.518 HD22 ' HZ ' ' A' ' 115' ' ' PHE . 27.8 mt -98.93 0.41 43.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -73.83 -49.74 5.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -74.99 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.661 HG23 ' CD1' ' A' ' 111' ' ' TYR . 82.2 mt -47.1 -40.74 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.946 ' HG ' HD13 ' A' ' 73' ' ' ILE . 3.9 mt -69.76 -33.74 72.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' PRO . 22.5 mtmt -73.58 -50.78 19.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 111' ' ' TYR . 59.4 m-80 -90.27 31.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -34.11 39.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.98 -44.21 63.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.9 t -115.18 54.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.661 ' CD1' HG23 ' A' ' 104' ' ' ILE . 1.0 OUTLIER -107.91 135.34 49.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 113' ' ' LYS . 1.2 m-20 -76.91 117.1 18.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.451 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -55.01 -169.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' PHE . 0.4 OUTLIER 67.03 62.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.235 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.518 ' HZ ' HD22 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -36.91 148.36 0.19 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.51 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -74.99 -25.23 12.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.487 1.783 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.487 ' CE1' ' CG ' ' A' ' 97' ' ' ASP . 61.5 m-85 -111.52 142.82 43.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.86 90.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.911 HG11 ' SG ' ' A' ' 76' ' ' CYS . 32.7 m -132.76 138.3 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.27 159.1 48.35 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 142.75 28.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.545 HD12 ' OG1' ' A' ' 75' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.898 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 31.7 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -67.83 -33.42 74.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.2 t -79.04 -23.41 44.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.974 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.697 HD13 ' CH2' ' A' ' 19' ' ' TRP . 1.9 mt -71.43 -57.09 4.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.748 HD22 ' O ' ' A' ' 105' ' ' LEU . 56.9 mt -49.61 -26.19 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -84.9 -70.54 0.57 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.453 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -41.36 -33.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.697 ' CH2' HD13 ' A' ' 15' ' ' LEU . 5.9 m0 -68.58 -66.0 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.48 -30.11 8.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -34.27 76.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' TRP . 0.4 OUTLIER -64.88 -61.82 1.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.746 HD11 ' HG ' ' A' ' 98' ' ' LEU . 56.7 tp -51.64 -58.43 6.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -37.87 -47.55 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -65.61 -48.46 72.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -46.94 -28.39 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.0 -37.05 40.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -64.84 -41.0 96.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.585 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 15.7 m-85 -68.02 -56.54 8.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.409 ' OD2' ' NH2' ' A' ' 80' ' ' ARG . 10.2 t70 -53.36 -60.5 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -41.47 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.502 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 27.2 m0 -44.68 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 108.051 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.95 43.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -115.37 45.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 34' ' ' GLN . 4.1 mt -36.45 -43.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -54.21 -63.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.585 ' OE1' ' CZ ' ' A' ' 29' ' ' PHE . 6.7 mt-10 -57.57 -36.66 71.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.68 -57.2 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.765 HG13 HD12 ' A' ' 84' ' ' LEU . 43.6 mt -52.12 -67.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.418 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -40.13 -53.0 2.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.604 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 6.1 tm-20 -49.35 -62.29 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.604 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 20.7 m-85 -53.02 -53.44 50.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.534 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 95.5 mt-30 -48.7 -60.45 2.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.418 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 1.2 mp -46.02 -61.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.532 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 21.2 tp -50.64 -40.72 53.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -59.21 -52.07 67.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -50.88 65.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.414 ' CE1' HG23 ' A' ' 44' ' ' ILE . 60.9 m80 -52.56 -54.98 25.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.631 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.619 HD22 HG23 ' A' ' 70' ' ' ILE . 76.6 mt -40.73 -36.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.525 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 32.3 mt-30 -69.16 -52.95 22.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -42.0 -28.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 50' ' ' GLN . 57.5 mm-40 -95.86 -35.09 11.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.525 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -68.86 -67.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 3.3 pt20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.898 ' CZ ' HG23 ' A' ' 12' ' ' THR . 78.1 m-85 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.516 0.198 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' GLU . 8.8 t -83.41 159.38 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' THR . 3.0 mt-10 -38.57 -58.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -46.21 -54.3 9.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -50.91 -68.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -48.11 -29.22 3.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -62.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.605 HG22 HD11 ' A' ' 108' ' ' ILE . 1.7 m -58.62 -50.58 73.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.619 HG23 HD22 ' A' ' 49' ' ' LEU . 37.5 mt -44.35 -49.23 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.78 -29.92 74.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' THR . 43.2 mttt -72.26 -35.95 68.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.908 HD13 ' HG ' ' A' ' 105' ' ' LEU . 79.4 mt -59.33 -43.91 91.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.495 ' HB3' HD13 ' A' ' 122' ' ' ILE . . . -55.93 -54.86 39.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.556 ' OG1' HD12 ' A' ' 122' ' ' ILE . 1.3 m -37.64 -61.31 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.61 ' SG ' HG21 ' A' ' 119' ' ' VAL . 57.7 m -44.62 -59.33 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 46' ' ' ALA . 5.6 mt -35.48 -62.74 0.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 77' ' ' LEU . 1.4 mm-40 -37.67 -49.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.533 HD13 ' N ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -58.28 -58.26 9.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.465 ' NE ' HD21 ' A' ' 84' ' ' LEU . 15.9 tpt180 -50.39 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.352 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.728 ' HB3' HG23 ' A' ' 39' ' ' ILE . 20.7 m -39.91 -38.76 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.2 -45.31 27.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' ARG . . . -43.34 -45.66 6.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.765 HD12 HG13 ' A' ' 39' ' ' ILE . 14.2 mt -60.03 -54.33 47.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -57.99 -51.88 67.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.502 0.191 . . . . 0.0 111.011 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 -167.65 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.699 HD23 HD23 ' A' ' 98' ' ' LEU . 1.3 mt -82.61 -43.23 17.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.44 -49.86 75.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 84.5 m-20 -61.17 -30.49 70.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.746 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.0 tp -74.64 -58.62 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -20.63 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.52 -9.22 47.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.9 mt -98.16 -9.07 26.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.533 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -62.59 -50.2 79.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.5 Cg_endo -74.94 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 108' ' ' ILE . 12.4 mt -41.82 -61.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.908 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.9 mt -42.97 -38.15 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 103' ' ' PRO . 1.1 mtmt -77.75 -40.3 41.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 104' ' ' ILE . 29.8 m120 -89.59 23.35 2.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.605 HD11 HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -59.89 -39.16 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.61 -52.38 57.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.7 t -88.31 44.79 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.587 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 33.6 t80 -103.59 116.39 32.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 40.0 p30 -92.07 35.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.587 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 6.1 mttt 53.07 -174.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 3.3 tt0 82.03 80.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.566 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.3 OUTLIER -68.84 140.67 91.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.5 Cg_endo -74.93 -0.44 9.94 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 97' ' ' ASP . 77.3 m-85 -138.67 146.68 41.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -76.58 93.83 3.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.61 HG21 ' SG ' ' A' ' 76' ' ' CYS . 33.7 m -146.53 114.39 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -71.88 161.27 79.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.61 37.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.45 1.763 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.556 HD12 ' OG1' ' A' ' 75' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.475 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 7.6 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -40.24 71.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -70.11 -27.36 64.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.49 HD13 ' CH2' ' A' ' 19' ' ' TRP . 0.4 OUTLIER -63.32 -47.6 81.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 105' ' ' LEU . 95.2 mt -64.84 -39.86 94.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -49.93 -31.55 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -81.02 -49.71 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.562 ' HB3' HD13 ' A' ' 105' ' ' LEU . 32.9 m0 -65.74 -13.03 58.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' LEU . . . -98.23 -32.19 6.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.87 -14.0 56.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.733 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.72 -55.62 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.73 HD11 ' HG ' ' A' ' 98' ' ' LEU . 56.3 tp -52.45 -59.24 4.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -41.24 -56.19 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' ASP . 6.2 ttt180 -55.59 -53.88 51.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.31 -44.44 2.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.68 73.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.559 ' CG ' ' CZ2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -41.13 -50.47 3.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 37' ' ' GLU . 94.2 m-85 -60.22 -53.71 54.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.436 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -46.43 -64.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.72 -62.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.559 ' CZ2' ' CG ' ' A' ' 28' ' ' ASP . 15.5 m0 -55.51 -75.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.013 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 154.01 43.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -113.64 59.97 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 9.3 mt -47.47 -56.51 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.733 HG13 ' H ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -40.96 -72.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.733 ' H ' HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -48.49 -40.86 28.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.168 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -56.58 -59.46 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.673 HG23 ' HB3' ' A' ' 81' ' ' SER . 7.7 mt -46.14 -68.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -39.58 -57.23 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.531 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 10.9 tm-20 -45.34 -63.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.531 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 15.7 m-85 -51.59 -55.85 16.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -50.12 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -40.25 -49.76 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 tp -64.08 -47.13 81.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -51.7 -47.0 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -49.16 78.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -52.99 -46.1 68.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.58 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.653 HD13 ' HB ' ' A' ' 73' ' ' ILE . 24.0 mt -52.64 -47.35 67.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.51 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 33.4 mt-30 -59.91 -49.23 78.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.29 -28.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 15.5 mm-40 -95.87 -36.01 11.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -69.0 -62.46 1.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLN . 8.1 pt20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.475 ' CZ ' HG23 ' A' ' 12' ' ' THR . 88.3 m-85 . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.52 0.2 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.468 HG22 ' OE1' ' A' ' 66' ' ' GLN . 10.2 t -109.34 162.73 14.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -42.55 -42.86 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.254 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.429 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 4.8 mm-40 -55.8 -58.72 6.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.468 ' OE1' HG22 ' A' ' 63' ' ' THR . 1.1 mp0 -61.13 -50.95 71.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 70' ' ' ILE . 3.1 mtpm? -56.61 -35.61 68.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -56.83 -42.56 79.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.86 -43.23 62.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.559 ' HA ' HD12 ' A' ' 73' ' ' ILE . 40.2 mt -42.4 -44.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 74' ' ' ALA . . . -63.62 -57.77 13.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.717 ' HG2' HG23 ' A' ' 119' ' ' VAL . 24.1 mttt -42.69 -40.63 2.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.9 HD13 ' HG ' ' A' ' 105' ' ' LEU . 69.5 mt -57.99 -50.0 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.46 ' HB3' HD13 ' A' ' 122' ' ' ILE . . . -56.03 -54.92 39.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' ALA . 1.2 m -37.31 -61.9 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.596 ' SG ' ' CZ ' ' A' ' 93' ' ' PHE . 74.1 m -44.53 -57.15 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 108.261 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.604 HD12 ' HB2' ' A' ' 46' ' ' ALA . 7.4 mt -38.73 -60.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.23 -48.58 3.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.666 HD13 ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.0 -52.42 65.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -57.98 -62.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.673 ' HB3' HG23 ' A' ' 39' ' ' ILE . 52.3 m -44.65 -47.45 10.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.45 -51.26 61.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.04 -50.34 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.7 mt -54.3 -51.78 63.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -56.06 -52.55 63.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.618 ' CZ ' ' CG ' ' A' ' 97' ' ' ASP . 1.4 t80 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.458 0.171 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.89 -168.45 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.839 HD23 HD23 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -92.76 -41.59 10.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -41.78 80.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.23 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.628 ' OD1' ' CE2' ' A' ' 117' ' ' PHE . 59.7 t0 -69.22 -33.53 73.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.839 HD23 HD23 ' A' ' 95' ' ' LEU . 3.4 tp -69.15 -58.14 4.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -21.75 8.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -8.69 51.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.633 HD23 HD12 ' A' ' 104' ' ' ILE . 44.3 mt -98.31 -5.13 33.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.669 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -63.65 -48.71 79.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.0 -46.37 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.738 HG23 ' CD2' ' A' ' 111' ' ' TYR . 90.7 mt -46.51 -38.83 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.9 ' HG ' HD13 ' A' ' 73' ' ' ILE . 3.9 mt -75.15 -34.28 61.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' PRO . 47.0 mtpt -67.85 -59.05 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 111' ' ' TYR . 83.2 m-20 -88.31 38.53 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.43 HG21 ' CE1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -57.54 -47.1 85.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.419 HD21 HG21 ' A' ' 12' ' ' THR . 1.7 mt -59.16 -47.03 86.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 t -109.34 51.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.433 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.738 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.2 OUTLIER -104.14 132.49 50.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -72.2 119.08 15.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -56.65 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 115' ' ' PHE . 1.2 mm-40 63.93 68.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 0.3 OUTLIER -36.59 144.42 0.27 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 115' ' ' PHE . 18.4 Cg_endo -74.97 -26.05 11.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.628 ' CE2' ' OD1' ' A' ' 97' ' ' ASP . 92.3 m-85 -106.75 151.85 24.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -86.83 88.76 7.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.717 HG23 ' HG2' ' A' ' 72' ' ' LYS . 15.5 m -135.55 122.45 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.47 128.29 91.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 158.5 42.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.46 HD13 ' HB3' ' A' ' 74' ' ' ALA . 1.1 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.413 -0.218 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -54.78 -31.4 58.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -25.5 60.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 15' ' ' LEU . 6.9 mt -72.84 -68.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.451 HD22 ' O ' ' A' ' 105' ' ' LEU . 20.9 mt -40.56 -29.02 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 15' ' ' LEU . 1.8 tt0 -80.62 -65.08 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.15 -33.31 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.922 ' HB3' HD13 ' A' ' 105' ' ' LEU . 4.4 m0 -68.11 -66.6 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 108.007 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.03 -30.11 2.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.82 84.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' TRP . 3.9 m -51.4 -63.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.957 HD23 ' HB2' ' A' ' 102' ' ' GLU . 40.7 tp -48.84 -57.28 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -40.86 -50.99 3.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -46.67 75.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.71 -24.96 34.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.34 -42.67 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.743 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . 7.2 m-20 -54.97 -46.32 75.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 9.7 m-85 -60.52 -54.7 42.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.598 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -50.11 -61.11 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -39.13 -67.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.442 ' CZ2' ' HB3' ' A' ' 28' ' ' ASP . 9.9 m0 -47.33 -72.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 107.973 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.18 42.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.103 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 12.9 mm100 -118.15 72.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.47 -51.35 60.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.1 t -51.21 -60.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.57 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.2 mt-10 -56.74 -41.33 77.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -55.05 -58.97 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.775 HG23 ' HB3' ' A' ' 81' ' ' SER . 12.3 mt -43.82 -59.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.465 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.3 t70 -40.52 -51.32 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -52.27 -67.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.553 ' HE2' HD11 ' A' ' 84' ' ' LEU . 22.9 m-85 -45.86 -61.81 1.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.444 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 40.0 mt-30 -44.34 -62.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.644 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.1 mp -45.35 -50.08 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.517 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 48.2 tp -61.8 -38.47 88.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -60.55 -49.2 78.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -48.93 79.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.644 ' CE1' HG23 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -53.22 -55.15 26.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.563 HD13 ' HB ' ' A' ' 73' ' ' ILE . 70.7 mt -41.77 -38.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.557 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 12.0 mt-30 -62.67 -55.25 28.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -41.69 -28.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.542 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 66.3 mm-40 -96.64 -35.08 11.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.557 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -66.16 -40.25 90.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.419 ' HB3' ' CB ' ' A' ' 66' ' ' GLN . 88.9 m-85 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.515 0.197 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' GLU . 9.0 t -101.06 163.09 12.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -38.88 -58.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -45.41 -61.11 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.495 ' HG2' HG23 ' A' ' 108' ' ' ILE . 3.7 mt-30 -43.61 -49.73 7.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -59.45 -48.22 82.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -47.19 -60.55 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.578 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.1 m -60.19 -56.02 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.491 HG23 HD22 ' A' ' 49' ' ' LEU . 35.1 mt -40.59 -50.71 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.518 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -67.65 -48.25 57.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HB3' HG23 ' A' ' 119' ' ' VAL . 60.9 mttt -49.92 -42.6 48.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.734 HD13 ' HG ' ' A' ' 105' ' ' LEU . 92.7 mt -52.99 -51.16 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB3' ' CD1' ' A' ' 122' ' ' ILE . . . -54.56 -53.13 58.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 m -43.04 -45.57 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.754 ' SG ' HG11 ' A' ' 119' ' ' VAL . 61.2 m -61.98 -48.68 79.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.521 HD12 ' CA ' ' A' ' 46' ' ' ALA . 18.5 mt -45.22 -57.61 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -43.8 -26.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 77' ' ' LEU . 24.5 mt -79.19 -52.95 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.712 ' NE ' HD21 ' A' ' 84' ' ' LEU . 25.3 tpt180 -56.2 -65.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.775 ' HB3' HG23 ' A' ' 39' ' ' ILE . 61.6 m -39.37 -51.59 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.67 -43.2 94.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -49.91 -35.71 24.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.721 HD12 HG13 ' A' ' 39' ' ' ILE . 14.1 mt -69.79 -52.12 27.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -51.1 -44.04 61.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.148 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.559 0.218 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.94 -169.42 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.916 HD23 HD23 ' A' ' 98' ' ' LEU . 0.6 OUTLIER -79.51 -51.75 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.36 -40.43 68.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 69.9 m-20 -66.41 -30.12 70.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.916 HD23 HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -79.24 -43.09 24.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.638 ' CD ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -59.13 -15.38 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -74.42 -2.74 26.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.563 HD13 HG23 ' A' ' 73' ' ' ILE . 29.4 mt -100.69 -1.84 34.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.957 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -77.78 -46.31 2.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.308 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.02 -29.39 8.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.1 mt -64.66 -54.0 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.922 HD13 ' HB3' ' A' ' 19' ' ' TRP . 9.5 mt -56.48 -35.66 68.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.05 -43.04 55.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 103' ' ' PRO . 89.0 m-20 -91.11 25.41 2.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.495 HG23 ' HG2' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -58.04 -50.16 79.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.9 mt -58.44 -49.97 75.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.0 t -89.05 35.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 110.378 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 72.4 t80 -93.07 120.18 33.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -107.18 47.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.6 OUTLIER 49.89 -171.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 2.9 tt0 83.07 87.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.434 ' HZ ' HD22 ' A' ' 101' ' ' LEU . 0.8 OUTLIER -91.56 144.06 29.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.077 . . . . 0.0 110.956 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -1.49 11.31 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 97' ' ' ASP . 82.3 m-85 -136.4 146.21 46.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.61 80.15 8.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.754 HG11 ' SG ' ' A' ' 76' ' ' CYS . 7.9 m -121.97 136.83 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.52 153.08 61.46 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 138.46 23.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 71' ' ' GLY . 1.8 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 1.095 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 6.9 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -67.04 -68.88 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 1.3 m -38.43 -41.89 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.59 HD13 ' CH2' ' A' ' 19' ' ' TRP . 2.0 mt -48.25 -58.32 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 16' ' ' LEU . 6.9 mt -44.12 -26.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.448 ' N ' ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -83.1 -74.21 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.586 ' HG3' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.2 -45.92 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.339 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.601 ' CE3' HD22 ' A' ' 105' ' ' LEU . 5.5 m0 -55.49 -63.02 1.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 108.003 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.0 -27.12 59.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 17' ' ' GLN . . . -71.53 -37.07 71.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 m -57.43 -65.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.941 HD23 ' HB2' ' A' ' 102' ' ' GLU . 15.6 tp -44.42 -57.0 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.15 -65.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -50.37 -36.66 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.33 96.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.6 97.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 0.797 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.12 -43.56 7.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' GLY . 25.4 m-85 -64.8 -63.24 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.798 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -39.87 -61.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.254 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.56 -59.53 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.9 m0 -59.89 -75.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.035 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 156.6 43.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -112.53 67.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.58 ' N ' HD23 ' A' ' 35' ' ' LEU . 2.2 mt -54.36 -51.44 64.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -44.59 -69.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -44.84 61.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -49.88 -57.72 6.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.568 HG13 HD12 ' A' ' 84' ' ' LEU . 9.3 mt -50.58 -61.85 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -41.8 -59.51 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 13.4 tm-20 -47.11 -68.82 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.598 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 18.9 m-85 -42.71 -58.44 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.572 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 63.3 mt-30 -48.49 -59.12 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.434 HG23 ' NE2' ' A' ' 48' ' ' HIS . 1.2 mp -45.42 -56.53 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 63.0 tp -56.31 -35.99 68.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.581 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -61.99 -49.26 76.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -49.19 78.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.434 ' NE2' HG23 ' A' ' 44' ' ' ILE . 12.5 m170 -52.09 -39.22 59.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.576 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.664 ' CD2' HG23 ' A' ' 70' ' ' ILE . 53.9 mt -60.13 -58.23 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.572 ' CD ' HG21 ' A' ' 122' ' ' ILE . 41.3 mt-30 -47.85 -48.87 30.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -28.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.6 ' OE1' ' CD1' ' A' ' 62' ' ' PHE . 3.6 mt-10 -95.95 -38.39 10.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -64.3 -45.1 89.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 1.095 ' CZ ' HG23 ' A' ' 12' ' ' THR . 67.3 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.46 0.171 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.478 HG22 ' CD ' ' A' ' 66' ' ' GLN . 8.9 t -109.1 159.66 16.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.361 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLU . 3.1 mm-40 -41.59 -60.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' GLU . 26.7 mt-10 -38.89 -39.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.478 ' CD ' HG22 ' A' ' 63' ' ' THR . 52.9 mt-30 -82.17 -60.34 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -45.15 -50.45 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.405 ' CE ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -49.73 -37.93 31.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.599 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.7 m -77.64 -52.98 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.664 HG23 ' CD2' ' A' ' 49' ' ' LEU . 96.8 mt -39.23 -43.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' LYS . . . -65.96 -63.96 3.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.551 1.157 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' GLY . 16.2 mttm -39.81 -46.37 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.658 HD13 ' HG ' ' A' ' 105' ' ' LEU . 32.8 mt -49.12 -53.62 7.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.492 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -57.05 -52.04 66.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.488 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 2.1 m -44.09 -42.25 6.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.444 ' HB2' HD11 ' A' ' 101' ' ' LEU . 32.8 m -63.23 -49.44 74.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 108.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.581 HD12 ' CA ' ' A' ' 46' ' ' ALA . 17.3 mt -44.25 -59.78 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -41.19 -33.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.93 -52.75 15.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 15.1 tpt180 -54.63 -64.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.447 ' HB3' HG23 ' A' ' 39' ' ' ILE . 66.1 m -46.01 -57.03 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 83' ' ' ALA . . . -53.52 -52.21 60.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -40.57 -40.4 1.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.568 HD12 HG13 ' A' ' 39' ' ' ILE . 8.2 mt -66.09 -54.11 29.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -58.8 -47.72 83.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.948 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.492 0.187 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.411 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -105.94 -169.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.798 HD11 ' HB3' ' A' ' 30' ' ' ASP . 3.4 mt -76.23 -57.04 4.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -48.62 -56.04 9.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -54.95 -19.37 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.771 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -92.2 -41.19 10.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.706 ' HA ' HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -64.37 -10.59 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -78.7 1.46 22.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.61 HD13 HG23 ' A' ' 73' ' ' ILE . 79.4 mt -102.02 -9.77 20.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.941 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -71.73 -45.47 12.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.0 -36.62 2.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.528 HD12 HD23 ' A' ' 101' ' ' LEU . 69.5 mt -60.63 -45.06 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.658 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.1 mt -64.98 -33.03 75.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -41.77 46.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 111' ' ' TYR . 35.6 m120 -89.62 21.92 3.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.0 -39.91 51.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.73 -43.49 75.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.2 t -107.9 45.12 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.599 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 49.9 t80 -92.78 -36.65 12.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.526 ' O ' ' CG ' ' A' ' 113' ' ' LYS . 0.5 OUTLIER 63.21 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 112' ' ' ASN . 10.7 mttt -175.95 -172.86 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER 78.81 97.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.522 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.7 OUTLIER -92.01 148.01 36.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.53 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.3 Cg_endo -74.94 -3.41 13.88 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.53 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 32.6 m-85 -140.64 169.77 17.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -114.7 91.53 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.2 m -134.77 130.1 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.47 144.7 95.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.256 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 150.06 37.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.572 HG21 ' CD ' ' A' ' 50' ' ' GLN . 2.8 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' LEU . 11.2 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.91 -51.1 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.47 -23.57 63.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 19' ' ' TRP . 1.5 tm? -66.66 -59.03 3.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.481 HD22 ' O ' ' A' ' 105' ' ' LEU . 56.8 mt -46.49 -25.2 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' N ' ' C ' ' A' ' 15' ' ' LEU . 5.8 mm-40 -78.81 -70.78 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -43.6 -28.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.503 ' CZ3' HG12 ' A' ' 70' ' ' ILE . 1.4 m0 -68.92 -67.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 107.992 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.86 -36.86 42.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.32 -49.99 68.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.5 m -50.6 -63.8 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.807 HD11 ' HG ' ' A' ' 98' ' ' LEU . 38.2 tp -48.68 -56.14 9.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -50.78 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.405 ' HA ' ' OD2' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -65.2 -48.37 73.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.339 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -46.87 -27.08 3.14 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.64 -39.45 20.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.405 ' OD2' ' HA ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -58.5 -36.86 74.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.589 ' CE1' ' CD ' ' A' ' 37' ' ' GLU . 59.6 m-85 -70.21 -54.66 11.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -50.3 -57.97 6.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.1 t -44.04 -72.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -42.94 -75.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 107.995 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.49 39.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.471 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 4.5 mm-40 -114.66 103.85 11.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.669 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -89.88 -50.33 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.579 HG23 ' N ' ' A' ' 37' ' ' GLU . 26.8 m -48.22 -56.22 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.589 ' CD ' ' CE1' ' A' ' 29' ' ' PHE . 6.5 mt-10 -61.28 -43.72 98.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.608 ' O ' ' CD2' ' A' ' 42' ' ' TYR . . . -54.28 -51.1 65.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.825 HG13 HD12 ' A' ' 84' ' ' LEU . 7.4 mt -66.31 -42.47 90.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -55.73 -56.7 17.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -53.42 -69.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.713 ' CE1' HD21 ' A' ' 98' ' ' LEU . 21.4 m-85 -39.97 -61.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.52 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 55.2 mt-30 -46.14 -65.69 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.2 mp -42.14 -57.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.4 tp -54.5 -39.47 67.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -61.11 -46.82 89.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -61.93 -33.48 74.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 15.1 m170 -69.93 -49.42 52.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.651 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.505 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 38.3 mt -41.81 -43.77 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.719 ' CD ' HG21 ' A' ' 122' ' ' ILE . 38.6 mt-30 -65.21 -48.51 73.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -28.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.494 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 14.7 mm-40 -95.85 -33.31 12.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -74.51 -65.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLN . 5.6 pt20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.403 ' HA ' ' OE1' ' A' ' 66' ' ' GLN . 9.3 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.453 0.168 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.492 HG23 ' CG ' ' A' ' 65' ' ' GLU . 13.4 t -72.31 163.59 27.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -55.48 5.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.521 ' CB ' ' HE3' ' A' ' 113' ' ' LYS . 2.1 pt-20 -57.61 -25.91 60.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 60.7 mt-30 -81.96 -66.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 63' ' ' THR . 11.7 ptmt -48.03 -27.05 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -60.44 -68.85 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.551 HG22 HD11 ' A' ' 73' ' ' ILE . 18.5 m -42.28 -56.47 2.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' A' ' 73' ' ' ILE . 13.7 mt -40.84 -50.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.543 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -63.76 -37.99 95.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.54 ' HB3' HG23 ' A' ' 119' ' ' VAL . 56.2 mttt -68.76 -42.79 77.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.764 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.974 HD13 ' HG ' ' A' ' 105' ' ' LEU . 70.4 mt -51.76 -54.86 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -47.03 -60.23 2.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' ALA . 2.0 m -37.6 -54.0 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.851 ' SG ' HG11 ' A' ' 119' ' ' VAL . 58.0 m -51.48 -51.47 54.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.258 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.447 HD12 ' CA ' ' A' ' 46' ' ' ALA . 14.4 mt -46.16 -59.12 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -41.64 -31.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' A' ' 93' ' ' PHE . 12.3 mt -73.24 -48.81 31.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.561 ' NH2' HD13 ' A' ' 95' ' ' LEU . 27.4 tpt180 -61.68 -65.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.74 ' HB3' HG23 ' A' ' 39' ' ' ILE . 72.4 m -38.64 -56.29 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.413 1.071 . . . . 0.0 109.99 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.2 -53.67 55.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.73 -38.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.825 HD12 HG13 ' A' ' 39' ' ' ILE . 13.2 mt -66.87 -53.85 28.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -54.22 -57.42 11.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 1.1 t80 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.483 0.183 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.488 ' CD ' ' HG2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -56.03 -170.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.561 HD13 ' NH2' ' A' ' 80' ' ' ARG . 35.4 tp -82.28 -57.76 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.488 ' HG2' ' CD ' ' A' ' 94' ' ' LYS . 6.5 pt-20 -46.26 -42.7 14.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -59.32 -32.41 70.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.807 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -75.86 -46.57 29.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -11.56 55.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.46 ' HE2' ' CZ ' ' A' ' 117' ' ' PHE . 24.1 mtpt -72.32 -7.52 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.592 HD13 HG23 ' A' ' 73' ' ' ILE . 33.6 mt -100.83 -13.14 18.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.538 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -54.31 -49.22 91.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.5 Cg_endo -75.01 -49.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.799 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.742 HG23 ' CD1' ' A' ' 111' ' ' TYR . 53.5 mt -43.39 -52.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.974 ' HG ' HD13 ' A' ' 73' ' ' ILE . 7.1 mt -60.12 -36.33 77.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -69.57 -51.78 32.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.485 ' OD1' ' CG2' ' A' ' 110' ' ' THR . 9.4 m-80 -87.68 34.64 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.433 HG13 HD23 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.69 -20.96 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -88.41 -30.0 19.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.485 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 7.3 t -117.78 39.82 3.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.425 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.742 ' CD1' HG23 ' A' ' 104' ' ' ILE . 24.5 t80 -100.44 -20.1 15.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.498 ' O ' ' CG ' ' A' ' 113' ' ' LYS . 11.1 m-80 58.62 -91.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.521 ' HE3' ' CB ' ' A' ' 65' ' ' GLU . 12.1 mttt -175.98 -168.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 3.0 tt0 81.96 66.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 1.3 t80 -62.02 140.58 95.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.0 -47.21 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.46 ' CZ ' ' HE2' ' A' ' 100' ' ' LYS . 53.7 m-85 -86.08 140.63 30.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.44 79.97 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.851 HG11 ' SG ' ' A' ' 76' ' ' CYS . 5.2 m -130.15 121.03 50.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.14 158.02 82.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 137.69 22.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.719 HG21 ' CD ' ' A' ' 50' ' ' GLN . 3.1 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.691 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 54.7 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -51.87 -55.65 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.74 -37.89 53.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.878 HD13 ' CH2' ' A' ' 19' ' ' TRP . 0.6 OUTLIER -52.23 -46.09 65.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.19 -20.86 4.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -88.45 -72.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.804 ' HG3' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.93 -44.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.878 ' CH2' HD13 ' A' ' 15' ' ' LEU . 6.5 m0 -55.7 -64.6 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.002 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.16 -35.69 60.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.78 88.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -56.92 15.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.911 HD11 ' HG ' ' A' ' 98' ' ' LEU . 59.1 tp -52.38 -58.18 7.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -54.2 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -60.76 -55.11 37.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' HA3' ' CE1' ' A' ' 42' ' ' TYR . . . -42.93 -32.42 1.44 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.62 -50.31 12.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.6 -37.01 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 21.1 m-85 -72.73 -51.41 19.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.74 -56.96 10.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.43 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -49.6 -69.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 107.971 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.97 46.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -115.23 68.98 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.767 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.9 mt -57.74 -58.3 8.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.791 HG13 ' H ' ' A' ' 37' ' ' GLU . 2.3 p -43.46 -68.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.791 ' H ' HG13 ' A' ' 36' ' ' VAL . 1.8 mt-10 -51.98 -44.05 63.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.96 -63.18 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 35' ' ' LEU . 4.0 mt -40.78 -59.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.484 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.8 OUTLIER -41.06 -58.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -50.25 -68.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.475 ' O ' HD13 ' A' ' 77' ' ' LEU . 21.3 m-85 -43.28 -60.54 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.564 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 77.8 mt-30 -49.4 -62.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.2 mp -42.41 -54.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -54.04 -39.84 66.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -58.09 -49.32 77.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -47.04 82.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -54.89 -51.45 65.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.564 HD13 ' HB ' ' A' ' 73' ' ' ILE . 90.9 mt -43.53 -46.26 6.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.625 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 30.5 mt-30 -58.98 -47.61 84.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -40.58 -31.74 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 17.9 mm-40 -96.0 -35.99 11.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.625 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -68.4 -62.26 1.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLN . 4.8 pt20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.691 ' CZ ' HG23 ' A' ' 12' ' ' THR . 58.2 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.449 0.166 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.3 t -92.74 159.87 15.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -38.94 -59.97 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -44.47 -62.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.42 ' CG ' HG23 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -45.55 -57.95 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HA ' HD12 ' A' ' 70' ' ' ILE . 54.0 mtpt -46.72 -52.56 13.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -60.93 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.34 -49.84 68.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 67' ' ' LYS . 36.6 mt -42.51 -52.14 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.468 ' CA ' HG12 ' A' ' 122' ' ' ILE . . . -63.11 -57.33 16.01 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 71' ' ' GLY . 26.4 mttt -39.96 -53.14 2.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.72 HD13 ' HG ' ' A' ' 105' ' ' LEU . 99.6 mt -43.69 -49.66 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -53.74 -58.3 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 m -41.14 -47.96 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.837 ' SG ' HG11 ' A' ' 119' ' ' VAL . 89.3 m -57.11 -46.15 82.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 108.32 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 46' ' ' ALA . 17.5 mt -51.7 -57.04 10.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.66 -29.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.4 mt -77.15 -57.47 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 15.6 tpt180 -47.6 -67.16 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.447 ' HB3' HG23 ' A' ' 39' ' ' ILE . 38.7 m -41.57 -63.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.152 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.85 -53.1 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -42.61 -40.49 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' A' ' 80' ' ' ARG . 25.5 mt -64.23 -54.27 36.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -56.03 -45.94 79.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.451 0.167 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.463 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.1 OUTLIER -105.95 -170.38 1.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 95' ' ' LEU . 6.9 tp -77.51 -57.02 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.463 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 10.7 pt-20 -49.27 -36.33 20.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.434 ' CG ' ' CE1' ' A' ' 117' ' ' PHE . 50.6 m-20 -71.39 -31.34 67.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.911 ' HG ' HD11 ' A' ' 23' ' ' LEU . 2.9 tp -76.16 -52.22 10.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -54.54 -20.34 7.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -9.51 48.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.512 HD23 HD12 ' A' ' 104' ' ' ILE . 19.3 mt -96.55 -4.61 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.531 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -69.93 -49.61 19.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.03 -29.13 8.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.512 HD12 HD23 ' A' ' 101' ' ' LEU . 79.6 mt -63.69 -47.81 89.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.72 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.1 mt -68.83 -31.75 70.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.17 -53.04 11.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.494 ' OD1' ' CG2' ' A' ' 110' ' ' THR . 54.8 m-80 -90.65 20.41 4.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.42 HG23 ' CG ' ' A' ' 66' ' ' GLN . 0.1 OUTLIER -39.58 -38.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.96 -53.9 9.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.494 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 9.8 t -97.0 47.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.473 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.2 OUTLIER -110.45 136.16 50.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.73 128.58 33.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.417 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -60.3 -169.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 66.02 68.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.254 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.542 ' CD2' ' HD2' ' A' ' 116' ' ' PRO . 0.3 OUTLIER -38.22 147.65 0.25 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.542 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.4 Cg_endo -75.01 -14.99 20.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.434 ' CE1' ' CG ' ' A' ' 97' ' ' ASP . 77.0 m-85 -123.21 154.91 38.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.79 91.43 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.837 HG11 ' SG ' ' A' ' 76' ' ' CYS . 18.2 m -143.71 112.71 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.02 156.92 88.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 145.4 31.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.6 HG21 ' CD ' ' A' ' 50' ' ' GLN . 11.1 mm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.81 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 1.8 m . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.536 0.208 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -31.22 71.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.2 -24.39 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.639 HD13 ' CH2' ' A' ' 19' ' ' TRP . 5.2 mt -68.64 -65.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 105' ' ' LEU . 59.7 mt -41.91 -28.14 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 15' ' ' LEU . 1.5 tt0 -87.17 -68.16 0.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.99 -33.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.172 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.639 ' CH2' HD13 ' A' ' 15' ' ' LEU . 7.6 m0 -68.02 -65.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.002 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.29 -25.38 18.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.566 1.166 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.12 -18.54 62.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.93 -56.25 3.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.814 HD11 ' HG ' ' A' ' 98' ' ' LEU . 28.1 tp -50.37 -59.36 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.62 -63.98 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -48.71 -30.96 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.49 -33.78 85.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.556 1.16 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.469 ' HB1' ' HZ3' ' A' ' 99' ' ' LYS . . . -70.38 -40.93 73.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.475 ' O ' ' CG ' ' A' ' 32' ' ' TRP . 3.2 m-20 -47.36 -40.81 18.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.599 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 18.5 m-85 -72.98 -55.3 6.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -46.95 -47.45 21.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.43 -70.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.475 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 16.5 m0 -47.1 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 108.042 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.0 42.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.511 ' CB ' ' HB3' ' A' ' 29' ' ' PHE . 2.0 mt-30 -111.95 48.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.334 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.597 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 4.3 mt -42.13 -54.17 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.75 HG13 ' H ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -40.46 -72.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.75 ' H ' HG13 ' A' ' 36' ' ' VAL . 2.9 mt-10 -48.06 -43.15 30.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -49.56 -56.81 8.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.831 HG13 HD12 ' A' ' 84' ' ' LEU . 55.3 mt -50.59 -54.63 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.64 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -49.46 -55.15 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.552 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 3.6 tm-20 -51.03 -69.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 110.317 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.552 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 22.1 m-85 -42.65 -65.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.613 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 73.3 mt-30 -42.97 -60.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.64 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.3 mp -43.43 -62.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.543 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 62.5 tp -51.19 -38.48 52.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -59.83 -55.06 38.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -27.17 67.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' HG23 ' A' ' 44' ' ' ILE . 1.3 m80 -75.17 -37.52 61.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.566 HD21 HD21 ' A' ' 105' ' ' LEU . 19.4 mt -57.6 -51.15 70.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.617 ' CD ' HG21 ' A' ' 122' ' ' ILE . 43.1 mt-30 -53.05 -43.53 66.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -38.2 -32.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' HB2' HG21 ' A' ' 70' ' ' ILE . 6.7 mt-10 -95.28 -40.61 9.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.586 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -60.03 -28.46 67.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 3.9 pt20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.353 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.81 ' CZ ' HG23 ' A' ' 12' ' ' THR . 75.8 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.481 0.181 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -93.51 155.95 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -45.29 -55.43 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -48.97 -34.0 12.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 109' ' ' LEU . 37.9 mt-30 -79.91 -49.12 12.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.6 OUTLIER -59.45 -54.99 40.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -31.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.49 -41.11 20.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.519 HG23 ' CD2' ' A' ' 49' ' ' LEU . 44.9 mt -51.22 -44.58 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.79 -51.54 45.68 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.81 -54.55 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.78 HD13 ' HG ' ' A' ' 105' ' ' LEU . 96.6 mt -43.11 -51.33 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -54.64 -54.79 36.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' ALA . 31.4 m -37.85 -52.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.821 ' HA ' HD22 ' A' ' 79' ' ' LEU . 83.6 m -53.43 -54.09 41.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.567 HD12 ' HB2' ' A' ' 46' ' ' ALA . 10.0 mt -39.97 -62.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -40.76 -44.69 2.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.821 HD22 ' HA ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -63.64 -48.17 78.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.607 ' NE ' HD21 ' A' ' 84' ' ' LEU . 17.4 tpt180 -61.8 -59.1 5.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.525 ' HB3' HG23 ' A' ' 39' ' ' ILE . 58.7 m -43.98 -50.19 8.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.39 -48.1 76.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -42.24 -45.63 4.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.831 HD12 HG13 ' A' ' 39' ' ' ILE . 10.3 mt -59.7 -53.66 55.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -58.15 -37.01 73.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.601 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.505 0.193 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.469 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -106.13 -170.03 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 95' ' ' LEU . 9.0 tp -78.76 -55.25 5.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 9.7 pt-20 -48.6 -50.8 31.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 96.6 m-20 -60.36 -31.37 70.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.814 ' HG ' HD11 ' A' ' 23' ' ' LEU . 2.0 tp -73.51 -58.26 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.469 ' HZ3' ' HB1' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -57.75 -17.25 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -11.06 49.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.556 HD23 HD12 ' A' ' 104' ' ' ILE . 32.7 mt -98.61 -5.94 30.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.566 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -61.42 -47.67 92.94 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.1 Cg_endo -75.04 -46.04 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.556 HD12 HD23 ' A' ' 101' ' ' LEU . 43.9 mt -45.73 -51.93 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.78 ' HG ' HD13 ' A' ' 73' ' ' ILE . 0.9 OUTLIER -60.11 -30.38 69.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 103' ' ' PRO . 3.5 mmmt -76.28 -48.0 21.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.637 ' HB3' HG23 ' A' ' 110' ' ' THR . 60.7 m-20 -90.98 23.98 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.44 -39.16 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.424 ' HA ' ' NE2' ' A' ' 66' ' ' GLN . 25.2 mt -71.26 -48.96 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.637 HG23 ' HB3' ' A' ' 107' ' ' ASN . 7.7 t -91.92 36.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.454 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 64.4 t80 -92.85 134.95 34.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' A' ' 113' ' ' LYS . 22.3 m-80 -82.91 -89.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.564 ' CG ' ' O ' ' A' ' 112' ' ' ASN . 0.0 OUTLIER 174.25 -167.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 2.2 tt0 85.8 -46.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 1.0 OUTLIER 66.42 148.77 0.11 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.05 0.78 8.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 97' ' ' ASP . 97.4 m-85 -148.19 171.8 15.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -129.04 88.46 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 120' ' ' GLN . 27.2 m -131.38 123.83 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 119' ' ' VAL . 3.0 mt-30 -38.38 121.14 1.09 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.6 11.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.617 HG21 ' CD ' ' A' ' 50' ' ' GLN . 2.9 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.606 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 4.8 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -30.28 65.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 t -83.83 -23.1 31.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.981 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -71.4 -33.59 69.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 105' ' ' LEU . 20.8 mt -78.76 -43.94 24.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -60.05 -32.49 70.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -78.6 -44.6 23.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.563 ' HB3' HD22 ' A' ' 105' ' ' LEU . 6.2 m0 -60.59 -31.89 71.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 108.048 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.09 -18.76 64.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 -22.8 56.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.419 ' HB2' HD22 ' A' ' 45' ' ' LEU . 6.0 m -78.69 -65.37 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.85 HD11 ' HG ' ' A' ' 98' ' ' LEU . 50.0 tp -43.82 -56.58 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.68 -50.82 17.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.7 ttt180 -64.21 -52.01 60.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.48 -26.36 1.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.88 -38.58 19.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -56.97 -44.9 83.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.569 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 54.8 m-85 -66.62 -51.56 54.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.69 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -53.28 -57.42 10.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.56 -67.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.502 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 20.8 m0 -43.76 -72.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 107.978 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.04 43.36 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.555 1.16 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -118.9 72.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.454 ' N ' HD23 ' A' ' 35' ' ' LEU . 4.6 mt -61.79 -54.01 48.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.8 t -48.0 -60.23 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.569 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -56.22 -42.99 78.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.72 -64.09 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.883 HG13 HD12 ' A' ' 84' ' ' LEU . 6.6 mt -41.27 -59.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.647 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -46.55 -49.37 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -53.78 -66.02 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.498 ' CE2' ' HG2' ' A' ' 80' ' ' ARG . 20.2 m-85 -49.51 -64.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.673 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 63.0 mt-30 -39.46 -62.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.687 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.3 mp -42.08 -60.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.482 ' N ' HG22 ' A' ' 44' ' ' ILE . 45.8 tp -50.65 -37.96 43.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -58.3 -64.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -29.83 65.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.687 ' CE1' HG23 ' A' ' 44' ' ' ILE . 1.4 m80 -70.79 -31.38 68.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.582 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.838 HD22 HG23 ' A' ' 70' ' ' ILE . 16.8 mt -66.55 -42.36 87.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.659 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 63.8 mt-30 -60.12 -46.19 90.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' GLN . 7.7 tptt -39.31 -32.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.557 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 57.8 mm-40 -96.04 -37.52 10.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -64.97 -61.1 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.4 pt20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.606 ' CZ ' HG23 ' A' ' 12' ' ' THR . 21.6 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.547 0.213 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.839 HG22 ' OE1' ' A' ' 66' ' ' GLN . 1.9 t -104.78 171.13 7.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.417 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -52.01 -51.9 54.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.332 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.42 ' CA ' ' HE2' ' A' ' 113' ' ' LYS . 10.3 mm-40 -46.67 -58.91 3.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.839 ' OE1' HG22 ' A' ' 63' ' ' THR . 56.1 mt-30 -53.78 -59.6 4.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.546 ' HA ' HD12 ' A' ' 70' ' ' ILE . 20.4 mtpt -40.66 -49.42 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.27 -68.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.407 ' OG1' ' CE1' ' A' ' 111' ' ' TYR . 1.1 m -47.93 -54.28 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.838 HG23 HD22 ' A' ' 49' ' ' LEU . 80.1 mt -40.76 -43.24 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.41 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -72.64 -51.8 11.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' CG ' ' HB3' ' A' ' 121' ' ' PRO . 11.4 mttt -47.15 -41.73 18.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.73 HD13 ' HG ' ' A' ' 105' ' ' LEU . 88.8 mt -53.17 -56.93 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.529 ' HB3' ' CD1' ' A' ' 122' ' ' ILE . . . -47.68 -56.25 7.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.9 m -39.86 -49.21 2.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.4 ' CB ' HD11 ' A' ' 101' ' ' LEU . 47.2 m -57.32 -50.13 73.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.628 HD12 ' CA ' ' A' ' 46' ' ' ALA . 16.0 mt -44.07 -59.11 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.33 -27.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.404 ' N ' ' C ' ' A' ' 77' ' ' LEU . 20.7 mt -79.28 -58.1 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.672 ' CZ ' HD21 ' A' ' 84' ' ' LEU . 14.2 tpt85 -48.89 -65.28 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.702 ' HB3' HG23 ' A' ' 39' ' ' ILE . 31.5 m -41.2 -61.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 86' ' ' SER . . . -50.94 -46.81 61.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -48.72 -36.97 17.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.883 HD12 HG13 ' A' ' 39' ' ' ILE . 21.3 mt -67.35 -50.38 60.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -66.95 -19.36 65.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 82' ' ' ALA . 1.3 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.549 ' CE1' ' CD1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.552 0.215 . . . . 0.0 110.956 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 -168.8 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.904 HD23 HD23 ' A' ' 98' ' ' LEU . 8.8 mt -81.82 -53.13 6.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 9.3 pt-20 -51.15 -33.8 28.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 77.3 m-20 -81.51 -25.8 35.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.904 HD23 HD23 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -79.29 -39.84 31.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -56.56 -18.19 10.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 96' ' ' GLU . 19.3 mtpp -70.9 -6.29 37.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.6 HD23 HD12 ' A' ' 104' ' ' ILE . 83.2 mt -100.36 2.13 42.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.679 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -79.14 -50.21 1.4 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.06 -30.21 7.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.6 HD12 HD23 ' A' ' 101' ' ' LEU . 65.5 mt -61.03 -46.45 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.73 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.4 mt -70.42 -31.66 68.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -72.24 -51.57 20.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 110' ' ' THR . 9.7 m-80 -92.11 24.71 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.61 -36.37 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.464 HD23 ' NE2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -79.64 -35.18 39.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 107' ' ' ASN . 0.0 OUTLIER -112.72 52.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.407 ' CE1' ' OG1' ' A' ' 69' ' ' THR . 0.7 OUTLIER -120.15 125.03 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -71.32 123.59 22.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.42 ' HE2' ' CA ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -53.22 -175.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 115' ' ' PHE . 0.9 OUTLIER 77.85 60.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.55 ' CD2' ' HD2' ' A' ' 116' ' ' PRO . 0.5 OUTLIER -36.52 147.78 0.19 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.989 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.0 -38.35 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.771 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.549 ' CD1' ' CE1' ' A' ' 93' ' ' PHE . 93.7 m-85 -85.84 -10.53 55.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' PHE . 33.7 m-20 39.38 82.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 120' ' ' GLN . 5.9 m -124.38 127.95 73.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' VAL . 0.2 OUTLIER -38.44 124.19 1.12 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.424 ' HB3' ' CG ' ' A' ' 72' ' ' LYS . 18.1 Cg_endo -74.95 148.33 35.37 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.475 1.776 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.529 ' CD1' ' HB3' ' A' ' 74' ' ' ALA . 2.1 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.767 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 93.2 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.3 -25.32 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 p -87.64 -18.62 29.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.957 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.569 HD13 ' CH2' ' A' ' 19' ' ' TRP . 4.9 mt -71.15 -68.17 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.3 mt -41.23 -28.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 15' ' ' LEU . 9.6 mt-30 -86.21 -70.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.446 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -40.08 -32.28 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.256 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.569 ' CH2' HD13 ' A' ' 15' ' ' LEU . 6.6 m0 -69.23 -66.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.025 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.57 -23.49 4.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.6 -34.98 70.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.51 ' CB ' HD22 ' A' ' 45' ' ' LEU . 3.7 m -62.8 -62.04 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.035 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.625 ' CD1' HD21 ' A' ' 98' ' ' LEU . 21.8 tp -50.82 -58.37 6.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -37.96 -46.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -74.26 -48.17 30.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.7 -37.63 3.95 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.29 -52.92 42.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.515 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 24.6 m-20 -41.11 -56.63 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -55.6 -52.71 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -64.31 0.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 m -41.04 -65.8 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.515 ' CH2' ' HB3' ' A' ' 28' ' ' ASP . 28.9 m0 -48.62 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.67 43.53 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.531 1.145 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 4.4 mm-40 -114.18 68.31 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 39' ' ' ILE . 9.6 mt -56.47 -58.91 6.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.777 HG13 ' H ' ' A' ' 37' ' ' GLU . 1.4 p -42.37 -71.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.777 ' H ' HG13 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -51.77 -44.43 63.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -52.51 -62.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.893 HG13 HD12 ' A' ' 84' ' ' LEU . 3.4 mt -43.42 -52.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.93 -53.87 9.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -50.18 -66.16 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.537 ' HE2' HD11 ' A' ' 84' ' ' LEU . 22.0 m-85 -46.08 -66.98 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.503 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 31.2 mt-30 -40.57 -64.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.442 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.1 mp -43.2 -54.3 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.51 HD22 ' CB ' ' A' ' 22' ' ' SER . 20.7 tp -58.19 -40.89 82.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.519 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -56.66 -58.33 8.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -34.71 63.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.442 ' CE1' HG23 ' A' ' 44' ' ' ILE . 1.3 m80 -66.13 -36.43 83.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.599 HD13 ' HB ' ' A' ' 73' ' ' ILE . 71.8 mt -65.64 -58.5 5.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.442 ' C ' ' N ' ' A' ' 52' ' ' GLU . 7.5 mt-30 -47.45 -44.9 25.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -29.04 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.476 ' HB2' HG21 ' A' ' 70' ' ' ILE . 33.1 mm-40 -94.1 -40.58 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -60.81 -37.11 80.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.28 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.767 ' CZ ' HG23 ' A' ' 12' ' ' THR . 39.3 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.495 0.188 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.448 HG23 ' CG ' ' A' ' 65' ' ' GLU . 5.4 t -80.56 156.89 26.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -47.88 -62.55 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 8.4 pt-20 -41.89 -32.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 35.3 mt-30 -81.5 -50.31 9.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 70' ' ' ILE . 34.8 mtpt -56.28 -37.39 69.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -59.58 -54.7 43.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.598 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 48.2 m -51.8 -58.12 7.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.544 HG23 HD22 ' A' ' 49' ' ' LEU . 63.5 mt -40.91 -43.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.471 ' CA ' HG12 ' A' ' 122' ' ' ILE . . . -65.38 -56.57 14.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 1.7 mttt -41.06 -38.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.822 HG23 HD13 ' A' ' 101' ' ' LEU . 71.9 mt -62.63 -59.13 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -43.33 -44.83 5.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.4 -58.2 7.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.653 ' SG ' HG11 ' A' ' 119' ' ' VAL . 71.9 m -47.54 -55.7 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 108.31 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 46' ' ' ALA . 3.6 mt -38.97 -63.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' LEU . 1.4 mm-40 -37.53 -51.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -54.91 -56.08 23.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 28.4 tpt180 -56.3 -61.63 2.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.417 ' O ' ' NE2' ' A' ' 85' ' ' GLN . 75.3 m -39.13 -52.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.61 -48.02 73.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -40.84 -53.82 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.893 HD12 HG13 ' A' ' 39' ' ' ILE . 23.0 mt -52.84 -48.86 66.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 81' ' ' SER . 23.8 mt-30 -59.8 -39.84 86.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.59 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.528 0.204 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.421 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -106.23 -170.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 95' ' ' LEU . 3.5 tp -75.31 -59.94 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.36 -46.92 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -60.63 -38.22 84.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.625 HD21 ' CD1' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -74.23 -46.39 42.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.409 ' HA ' HD21 ' A' ' 23' ' ' LEU . 15.0 mttm -53.36 -23.16 8.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -72.07 -5.64 36.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.822 HD13 HG23 ' A' ' 73' ' ' ILE . 90.0 mt -99.56 -3.61 32.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -72.69 -50.32 7.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.0 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 108' ' ' ILE . 15.8 mt -45.48 -51.37 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.636 ' HG ' HD13 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -52.58 -35.42 53.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 103' ' ' PRO . 15.6 mttt -79.55 -38.12 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.459 ' OD1' ' CG2' ' A' ' 110' ' ' THR . 32.7 m-80 -88.67 16.16 7.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -54.41 -28.67 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.0 mt -80.98 -47.17 14.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.459 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 8.5 t -91.84 34.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.598 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 17.7 t80 -82.63 125.8 31.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -97.71 27.52 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.577 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 12.6 mttt 51.0 -179.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.8 tt0 80.24 74.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -57.78 144.43 73.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.441 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -74.98 -14.28 21.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.441 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 48.1 m-85 -116.38 152.36 34.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -77.09 68.76 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.653 HG11 ' SG ' ' A' ' 76' ' ' CYS . 28.9 m -125.06 131.78 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -88.45 158.34 48.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 134.14 17.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.471 HG12 ' CA ' ' A' ' 71' ' ' GLY . 10.8 mm . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.4 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -41.05 52.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -29.31 69.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.61 HD23 ' HG2' ' A' ' 18' ' ' ARG . 4.1 mt -69.05 -61.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.964 HD12 ' O ' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -42.59 -28.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.441 ' N ' ' C ' ' A' ' 15' ' ' LEU . 33.4 mt-30 -89.15 -70.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.61 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -38.71 -33.5 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.793 ' HB3' HD13 ' A' ' 105' ' ' LEU . 4.4 m0 -70.17 -67.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 108.029 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.82 -27.82 14.47 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.7 -42.0 95.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.2 -63.03 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 110.018 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.879 HD11 ' HG ' ' A' ' 98' ' ' LEU . 52.7 tp -47.29 -59.82 2.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -40.25 -46.99 2.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -44.95 70.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.09 -35.67 33.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.89 -44.65 61.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.504 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . 67.4 m-20 -50.45 -54.28 23.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 37' ' ' GLU . 16.3 m-85 -51.73 -59.16 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -54.09 -54.31 41.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.02 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.504 ' CZ2' ' HB3' ' A' ' 28' ' ' ASP . 5.1 m0 -55.46 -65.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.97 47.8 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' LEU . 13.6 mm100 -115.98 45.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.5 mt -36.68 -43.25 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.01 -59.98 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.9 mt-10 -61.69 -39.86 92.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' HB1' ' CE2' ' A' ' 42' ' ' TYR . . . -56.85 -50.18 73.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 35' ' ' LEU . 7.8 mt -54.15 -60.06 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.85 -60.87 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -46.19 -59.54 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.597 ' CE1' HD21 ' A' ' 98' ' ' LEU . 18.7 m-85 -51.31 -63.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.508 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 27.1 mt-30 -47.94 -62.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.604 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.1 mp -40.83 -56.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 55.3 tp -55.5 -42.96 75.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.652 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -55.65 -53.55 55.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -27.42 68.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.604 ' CE1' HG23 ' A' ' 44' ' ' ILE . 1.3 m80 -73.73 -42.13 61.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.549 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.877 HD22 HG23 ' A' ' 70' ' ' ILE . 32.7 mt -53.86 -53.95 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.575 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 38.1 mt-30 -49.98 -45.47 51.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' GLN . 12.9 tptt -39.53 -31.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.504 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 17.1 mm-40 -95.75 -39.32 9.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -61.48 -59.93 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.343 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.402 ' CE1' HG21 ' A' ' 108' ' ' ILE . 31.2 m-85 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.492 0.186 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.715 HG22 ' CD ' ' A' ' 66' ' ' GLN . 3.8 t -78.66 156.48 29.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 68' ' ' LYS . 7.7 mt-10 -37.87 -55.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.463 ' CA ' ' HE3' ' A' ' 113' ' ' LYS . 55.8 mt-10 -49.07 -52.76 23.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.715 ' CD ' HG22 ' A' ' 63' ' ' THR . 5.6 mt-30 -55.71 -63.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -56.39 -19.02 12.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -80.35 -30.05 37.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 70' ' ' ILE . 1.1 m -88.39 -45.93 9.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.877 HG23 HD22 ' A' ' 49' ' ' LEU . 92.5 mt -40.67 -57.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.414 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -48.67 -52.75 19.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.563 1.165 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -44.54 -52.09 8.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.855 HD13 ' HG ' ' A' ' 105' ' ' LEU . 25.7 mt -48.21 -52.74 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -53.12 -57.13 11.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.453 ' CG2' ' HB ' ' A' ' 119' ' ' VAL . 0.8 OUTLIER -37.35 -61.67 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.436 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.805 ' SG ' HG11 ' A' ' 119' ' ' VAL . 1.8 m -41.83 -50.3 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 108.289 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.652 HD12 ' CA ' ' A' ' 46' ' ' ALA . 15.0 mt -44.5 -50.4 9.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -49.14 -28.08 4.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.657 ' N ' HD12 ' A' ' 79' ' ' LEU . 2.3 mp -78.24 -60.3 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.85 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 9.6 tpt85 -45.95 -67.97 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.446 ' HA ' HD23 ' A' ' 84' ' ' LEU . 85.2 p -41.33 -70.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.402 ' N ' ' OG ' ' A' ' 81' ' ' SER . . . -42.3 -41.22 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.85 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -47.03 -54.6 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.721 HD22 ' O ' ' A' ' 80' ' ' ARG . 2.1 mm? -55.24 -60.65 3.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -50.29 -49.9 52.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 97' ' ' ASP . 1.4 t80 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.492 0.187 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.431 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -63.09 -170.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 98' ' ' LEU . 2.2 mt -85.04 -57.14 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -47.3 -23.43 0.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.572 ' HB3' ' CE1' ' A' ' 93' ' ' PHE . 37.3 m-20 -86.31 -37.57 18.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.879 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.9 tp -70.87 -47.91 56.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -14.56 38.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -76.23 -2.33 30.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.016 HD23 HD12 ' A' ' 104' ' ' ILE . 83.1 mt -103.66 -1.65 27.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -66.11 -52.55 38.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -74.97 -29.54 8.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.016 HD12 HD23 ' A' ' 101' ' ' LEU . 43.7 mt -63.1 -32.85 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.872 ' O ' HD13 ' A' ' 16' ' ' LEU . 2.5 mt -87.14 -35.98 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.964 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -68.47 -42.97 77.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' A' ' 111' ' ' TYR . 20.1 m-80 -101.71 27.75 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.539 HG13 HD23 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -44.61 -46.54 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.7 mt -55.25 -63.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 t -107.62 57.46 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.812 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -97.47 -21.35 17.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 62.25 125.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.497 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -57.36 -164.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 0.9 OUTLIER 82.65 45.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.289 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.444 ' CE2' HD21 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -37.95 143.43 0.4 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.417 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -74.95 -9.38 20.82 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -128.55 162.58 26.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.69 87.87 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.805 HG11 ' SG ' ' A' ' 76' ' ' CYS . 2.7 m -130.83 130.62 64.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -79.52 142.57 58.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.55 38.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.536 1.808 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.54 HG21 ' CD ' ' A' ' 50' ' ' GLN . 2.9 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.2 p -141.94 -60.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -54.43 -61.07 2.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.08 -93.89 0.55 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -117.72 143.14 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 109.967 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.13 139.09 58.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.19 -108.88 1.07 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -155.82 109.16 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.04 -70.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 169.93 -31.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 m -70.09 -32.26 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 1.067 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 13.6 m -59.9 -30.16 68.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -35.47 70.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 t -67.85 -27.48 66.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.866 HD13 ' CH2' ' A' ' 19' ' ' TRP . 2.8 mt -68.49 -64.68 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 105' ' ' LEU . 72.7 mt -41.23 -28.72 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' N ' ' C ' ' A' ' 15' ' ' LEU . 2.6 mm-40 -73.31 -68.9 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -51.96 -33.39 37.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.866 ' CH2' HD13 ' A' ' 15' ' ' LEU . 6.5 m0 -67.87 -64.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.36 -22.05 9.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.08 -28.11 54.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.763 ' HB3' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -70.32 -58.96 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.776 HD11 ' HG ' ' A' ' 98' ' ' LEU . 50.7 tp -52.65 -55.78 20.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.11 -47.32 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.475 ' CG ' ' OD2' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -73.25 -55.43 6.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -37.97 -29.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . -83.2 -50.21 8.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 0.741 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.475 ' OD2' ' CG ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -40.26 -42.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -62.53 -54.3 41.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.51 -65.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.2 -64.29 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.416 ' CZ3' ' OD1' ' A' ' 28' ' ' ASP . 13.1 m0 -51.35 -74.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.3 43.26 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.403 ' NE2' ' OE1' ' A' ' 37' ' ' GLU . 8.4 mm100 -117.24 63.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.476 ' N ' HD23 ' A' ' 35' ' ' LEU . 4.9 mt -54.12 -53.78 48.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.7 t -44.88 -69.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' OE1' ' NE2' ' A' ' 34' ' ' GLN . 3.6 mt-10 -49.9 -43.8 49.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -51.97 -64.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.865 HG13 HD12 ' A' ' 84' ' ' LEU . 6.5 mt -40.88 -59.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.09 -61.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -45.32 -60.41 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.461 ' CE1' HD21 ' A' ' 98' ' ' LEU . 18.0 m-85 -50.89 -60.93 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -48.5 -64.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.422 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.1 mp -42.04 -54.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.763 HD22 ' HB3' ' A' ' 22' ' ' SER . 23.6 tp -58.59 -41.65 86.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.452 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -60.47 -52.11 66.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -44.62 57.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.422 ' CE1' HG23 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -61.74 -47.67 84.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.595 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.879 HD22 HG23 ' A' ' 70' ' ' ILE . 17.0 mt -48.07 -40.15 22.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.646 ' NE2' HD13 ' A' ' 122' ' ' ILE . 20.5 mm-40 -72.39 -51.51 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -29.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 50' ' ' GLN . 17.9 mm-40 -94.93 -34.32 12.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -70.61 -64.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -66.72 -35.07 79.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 57.74 173.85 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -95.7 -49.26 5.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.436 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 71.5 m-70 -120.02 48.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.626 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 57' ' ' HIS . 1.0 OUTLIER 40.88 32.69 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -82.57 -79.04 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 m 65.26 112.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.29 -16.42 21.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 1.067 ' CZ ' HG23 ' A' ' 12' ' ' THR . 26.7 m-85 -103.53 161.8 13.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.591 HG22 ' CD ' ' A' ' 66' ' ' GLN . 8.2 t -65.2 -165.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.492 ' N ' ' OG1' ' A' ' 63' ' ' THR . 5.0 mt-10 -85.95 -38.21 18.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 66' ' ' GLN . 1.4 pt-20 -68.3 -25.16 64.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.851 ' NE2' HD23 ' A' ' 109' ' ' LEU . 65.9 mt-30 -79.72 -68.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -39.9 -41.95 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mmpp? -42.64 -64.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.628 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.9 m -55.85 -49.82 72.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.879 HG23 HD22 ' A' ' 49' ' ' LEU . 60.7 mt -49.55 -52.12 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.92 -16.74 59.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' THR . 19.6 mttt -90.65 -55.63 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.699 ' HB ' HD13 ' A' ' 49' ' ' LEU . 63.1 mt -37.53 -42.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.37 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.493 ' HB3' ' NE2' ' A' ' 50' ' ' GLN . . . -54.22 -56.11 21.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.634 ' OG1' HD12 ' A' ' 122' ' ' ILE . 23.3 m -37.66 -58.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.535 ' SG ' HG11 ' A' ' 119' ' ' VAL . 84.9 m -47.72 -53.24 15.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.296 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.452 HD12 ' CA ' ' A' ' 46' ' ' ALA . 13.9 mt -46.87 -58.78 3.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -42.78 -27.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 77' ' ' LEU . 29.1 mt -81.09 -50.73 9.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.636 ' HD3' HD22 ' A' ' 98' ' ' LEU . 15.0 tpt85 -53.84 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.692 ' HB3' HG23 ' A' ' 39' ' ' ILE . 28.4 m -44.78 -52.41 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.0 -50.2 74.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -43.61 -40.32 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.865 HD12 HG13 ' A' ' 39' ' ' ILE . 24.6 mt -67.42 -53.84 25.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -57.23 -50.68 72.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.19 135.96 4.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.5 m -112.62 -57.07 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.95 74.52 9.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.7 p -179.7 172.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 177.92 56.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -155.56 23.96 0.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -92.49 -147.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -81.28 145.35 30.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 111.061 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.468 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -106.4 -169.72 1.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.783 HD23 HD23 ' A' ' 98' ' ' LEU . 2.6 mt -77.99 -56.56 4.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 9.1 pt-20 -47.85 -46.19 30.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -64.28 -26.99 68.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.783 HD23 HD23 ' A' ' 95' ' ' LEU . 1.5 tp -81.18 -49.86 10.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -13.54 32.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -67.82 -9.46 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.244 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.673 HD13 HG23 ' A' ' 73' ' ' ILE . 16.6 mt -99.67 -19.38 16.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.667 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -47.51 -51.26 45.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.02 -49.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.471 HD12 HD23 ' A' ' 101' ' ' LEU . 16.2 mt -40.13 -63.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.662 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -39.69 -50.55 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -47.19 78.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -87.34 40.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.47 ' CG1' ' HA ' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -73.94 -45.34 49.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.851 HD23 ' NE2' ' A' ' 66' ' ' GLN . 2.0 mt -64.29 -39.85 94.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.2 t -98.96 47.74 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.4 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.628 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 67.0 t80 -110.59 107.18 16.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 113' ' ' LYS . 1.2 t30 -88.64 48.94 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.611 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 4.4 mptp? 44.17 -168.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 2.7 tt0 84.36 51.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.592 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -52.76 139.91 40.17 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.04 2.54 6.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.434 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 55.3 m-85 -135.71 165.18 26.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 111.062 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -98.53 86.42 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.535 HG11 ' SG ' ' A' ' 76' ' ' CYS . 15.6 m -135.9 120.37 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.21 151.46 83.63 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.38 4.89 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.646 HD13 ' NE2' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -65.93 120.6 13.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.54 163.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 119.67 144.7 7.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.2 5.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 26.1 p -112.39 159.96 18.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.33 107.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 p -164.93 135.24 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.729 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 m -79.17 114.97 18.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.04 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.37 -138.63 2.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.55 96.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.32 155.87 33.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.04 153.99 30.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.475 ' HB2' HD11 ' A' ' 109' ' ' LEU . 2.4 ttm -53.31 98.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -139.21 75.36 1.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.972 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 65.48 -72.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' SER . 20.0 t -47.55 -68.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.798 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 3.7 m -51.84 -45.68 64.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -45.49 -45.12 13.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -56.34 -33.08 65.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.568 ' HG ' ' CE3' ' A' ' 19' ' ' TRP . 7.0 tp -68.69 -70.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.768 HD22 ' O ' ' A' ' 105' ' ' LEU . 82.4 mt -40.05 -29.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' LEU . 2.8 mt-30 -79.45 -65.72 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -47.91 -32.65 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.635 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 5.7 m0 -69.5 -63.5 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.5 -22.9 4.15 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.42 -32.36 68.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.747 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m -68.47 -65.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.853 HD11 ' HG ' ' A' ' 98' ' ' LEU . 22.3 tp -46.24 -54.94 7.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.63 -55.36 7.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -61.18 -50.48 72.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.59 -29.0 2.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.03 -48.72 12.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.53 -43.11 35.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -65.31 -50.97 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.3 OUTLIER -53.49 -61.49 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' ASP . 1.0 OUTLIER -38.2 -69.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -48.03 -70.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 108.012 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.49 43.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.118 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 12.7 mm-40 -113.88 72.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 110.347 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 35' ' ' LEU . 6.7 mt -62.19 -53.75 50.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -46.21 -66.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.15 -42.42 69.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -55.72 -57.27 12.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.2 mt -45.8 -64.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.26 -52.54 12.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -47.98 -54.66 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.572 ' O ' HD13 ' A' ' 77' ' ' LEU . 19.1 m-85 -62.94 -49.31 75.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.493 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 69.8 mt-30 -53.28 -61.58 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.529 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.1 mp -40.65 -60.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.635 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 25.1 tp -53.53 -40.58 65.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.574 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -60.75 -50.89 71.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.88 -42.84 76.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 10.1 m170 -62.86 -47.98 81.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.764 ' CD2' HG23 ' A' ' 70' ' ' ILE . 62.7 mt -49.99 -46.56 52.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.475 ' CD ' HG21 ' A' ' 122' ' ' ILE . 46.3 mt-30 -57.15 -53.18 61.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.982 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -43.19 -27.81 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 50' ' ' GLN . 36.0 mm-40 -94.93 -34.71 12.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -69.47 -50.58 44.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -101.04 45.54 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.982 ' HB2' ' O ' ' A' ' 51' ' ' LYS . . . -101.0 -47.1 4.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 69.93 -82.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.71 68.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -136.57 -54.95 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.89 92.29 1.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.5 p 174.6 153.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.983 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -130.26 46.98 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.798 ' CZ ' HG23 ' A' ' 12' ' ' THR . 59.7 m-85 -129.96 173.16 10.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.712 HG22 ' CD ' ' A' ' 66' ' ' GLN . 5.0 t -99.03 161.05 13.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -43.26 -54.87 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 32.3 mt-10 -45.24 -51.09 11.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.712 ' CD ' HG22 ' A' ' 63' ' ' THR . 6.8 mt-30 -59.99 -68.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.637 ' HA ' HD12 ' A' ' 70' ' ' ILE . 9.7 mtpt -46.43 -32.89 3.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' CG ' ' HE2' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -60.88 -56.71 17.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.56 -45.87 81.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.764 HG23 ' CD2' ' A' ' 49' ' ' LEU . 95.5 mt -41.22 -39.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.04 -59.76 7.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 0.9 OUTLIER -40.87 -43.57 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.542 HD13 ' HG ' ' A' ' 105' ' ' LEU . 35.0 mt -52.35 -55.94 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -52.71 -55.11 25.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.419 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 1.1 m -38.7 -52.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.834 ' HA ' HD22 ' A' ' 79' ' ' LEU . 94.1 m -54.02 -55.93 22.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 108.237 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.574 HD12 ' HB2' ' A' ' 46' ' ' ALA . 8.0 mt -38.23 -62.34 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -39.64 -44.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.834 HD22 ' HA ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -65.54 -52.34 53.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 12.6 tpt180 -53.23 -56.54 15.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.7 m -49.38 -62.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' ALA . . . -51.73 -50.21 61.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -39.96 -38.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 84' ' ' LEU . 5.3 mt -70.86 -53.0 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -53.78 -39.58 65.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.42 162.23 29.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.0 m -59.23 96.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 61.61 -89.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.2 103.58 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -64.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.353 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -169.54 33.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -92.87 -146.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.599 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -82.31 152.5 26.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 -169.13 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.968 HD23 HD23 ' A' ' 98' ' ' LEU . 1.8 mt -80.87 -51.92 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.49 -52.86 43.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.511 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 37.4 m-20 -61.25 -24.28 66.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.968 HD23 HD23 ' A' ' 95' ' ' LEU . 1.8 tp -79.9 -49.98 11.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.252 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.582 ' HD2' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -60.64 -16.39 38.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -72.59 -7.02 48.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.556 HD23 HD12 ' A' ' 104' ' ' ILE . 18.8 mt -97.53 -4.73 37.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.506 ' CG ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -68.67 -51.18 22.28 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.04 -31.52 6.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.556 HD12 HD23 ' A' ' 101' ' ' LEU . 70.0 mt -59.18 -45.05 93.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.768 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -67.84 -33.28 74.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -52.95 15.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 111' ' ' TYR . 44.7 m-80 -92.41 26.14 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -44.9 -45.03 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.661 HD23 ' NE2' ' A' ' 66' ' ' GLN . 1.3 mt -68.82 -55.88 9.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.447 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 3.2 t -91.74 46.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.514 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.1 OUTLIER -113.55 129.47 56.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -70.1 129.88 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.476 ' CE ' ' HA ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -63.66 -174.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 70.8 70.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.552 ' CD2' ' CG2' ' A' ' 119' ' ' VAL . 0.3 OUTLIER -37.26 147.14 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.543 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.5 Cg_endo -74.95 -35.0 3.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 119' ' ' VAL . 20.0 m-85 -98.57 151.39 20.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.51 92.82 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.767 HG11 ' SG ' ' A' ' 76' ' ' CYS . 4.0 m -147.67 127.84 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.4 160.08 40.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.08 23.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.475 HG21 ' CD ' ' A' ' 50' ' ' GLN . 3.5 mt -82.37 132.4 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 89.7 p -158.55 150.26 21.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -110.33 -177.49 20.85 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.34 2.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.492 1.786 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.82 121.63 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.3 p -108.9 121.01 44.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.438 1.086 . . . . 0.0 110.961 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -158.8 92.4 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -130.24 140.8 50.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.11 159.04 23.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.135 . . . . 0.0 111.042 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 t -130.19 155.73 45.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.59 129.65 16.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.03 144.44 8.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -42.5 147.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 11' ' ' VAL . 6.6 p -157.82 58.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' VAL . 33.8 tt0 65.31 -73.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.552 HG23 ' N ' ' A' ' 12' ' ' THR . 31.7 m -40.46 -54.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.937 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 2.6 m -60.63 -45.58 93.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -51.79 -50.27 61.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.406 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -63.35 -32.86 74.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.78 HD23 ' HG3' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -50.75 -42.32 57.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.697 HD22 ' O ' ' A' ' 105' ' ' LEU . 90.7 mt -52.89 -22.92 6.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' ARG . 26.0 mm-40 -83.23 -73.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.78 ' HG3' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -36.58 -47.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -57.63 -67.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 108.033 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.37 -35.36 20.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.22 90.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -63.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.87 HD11 ' HG ' ' A' ' 98' ' ' LEU . 49.9 tp -47.39 -58.15 4.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.85 -59.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -58.21 -47.6 82.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.61 -34.11 13.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.37 -42.17 37.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.45 0.736 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -47.58 69.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 48.6 m-85 -60.98 -54.95 38.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.72 -58.5 5.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.23 -65.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -53.05 -66.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.008 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.22 45.82 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -114.96 66.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.416 ' N ' HD23 ' A' ' 35' ' ' LEU . 7.0 mt -52.96 -61.29 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.759 HG13 ' H ' ' A' ' 37' ' ' GLU . 1.2 p -40.76 -71.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.759 ' H ' HG13 ' A' ' 36' ' ' VAL . 1.5 mt-10 -48.33 -46.19 36.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -52.8 -64.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.648 HG13 HD12 ' A' ' 84' ' ' LEU . 5.0 mt -41.16 -54.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.509 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -45.78 -54.53 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -50.74 -69.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.581 ' CE1' HD21 ' A' ' 98' ' ' LEU . 21.1 m-85 -43.95 -66.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.531 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 37.2 mt-30 -39.72 -65.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -41.42 -56.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.8 tp -56.33 -40.32 74.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -57.83 -50.05 74.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -58.68 -48.55 80.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 11.9 m170 -53.45 -53.37 52.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.57 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.649 HD22 HG23 ' A' ' 70' ' ' ILE . 60.8 mt -42.2 -48.03 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.82 ' CD ' HG21 ' A' ' 122' ' ' ILE . 37.1 mt-30 -58.07 -47.73 82.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -40.15 -31.9 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 50' ' ' GLN . 72.4 mm-40 -95.91 -35.98 11.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -68.73 -66.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -63.42 -22.39 66.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.844 ' HB1' ' H ' ' A' ' 59' ' ' ASN . . . 42.9 74.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -44.45 95.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' ALA . 15.7 m170 65.67 59.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 t30 45.56 89.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.844 ' H ' ' HB1' ' A' ' 55' ' ' ALA . 24.4 t-20 -150.29 95.91 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.9 p 175.79 145.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -97.25 -1.39 44.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.937 ' CZ ' HG23 ' A' ' 12' ' ' THR . 67.8 m-85 -90.46 169.58 10.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.447 HG22 ' OE1' ' A' ' 66' ' ' GLN . 9.7 t -98.23 164.37 12.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.12 -56.28 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -44.83 -61.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.447 ' OE1' HG22 ' A' ' 63' ' ' THR . 1.3 mp0 -51.17 -56.65 11.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -47.92 -54.68 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -41.96 -62.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.546 HG22 HD11 ' A' ' 108' ' ' ILE . 0.9 OUTLIER -56.67 -54.96 40.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.649 HG23 HD22 ' A' ' 49' ' ' LEU . 91.8 mt -39.6 -44.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.89 -43.66 49.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 69' ' ' THR . 14.7 mttt -57.82 -31.74 66.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.564 ' HB ' HD13 ' A' ' 49' ' ' LEU . 50.4 mt -64.19 -50.54 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.445 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -54.64 -46.31 73.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.483 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 2.1 m -46.2 -52.69 11.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.37 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.979 ' SG ' HG11 ' A' ' 119' ' ' VAL . 69.8 m -53.99 -51.34 64.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 108.256 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.509 HD12 ' CA ' ' A' ' 46' ' ' ALA . 14.9 mt -45.69 -58.97 3.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -43.31 -29.67 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.87 -54.12 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 20.4 tpt180 -52.07 -58.74 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.55 ' HB3' HG23 ' A' ' 39' ' ' ILE . 48.4 m -51.36 -50.84 58.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.91 -48.24 82.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -43.79 -51.16 7.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.648 HD12 HG13 ' A' ' 39' ' ' ILE . 23.3 mt -53.61 -48.77 68.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -60.36 -40.29 90.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 p -48.86 160.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 t -42.78 -35.63 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -174.81 -67.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.57 79.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -62.7 -48.71 78.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 176.99 38.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -90.1 -146.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.595 ' CZ ' ' CG ' ' A' ' 97' ' ' ASP . 1.3 t80 -80.79 153.06 27.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.437 ' CD ' ' CG ' ' A' ' 96' ' ' GLU . 1.5 ptpt -110.64 -169.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.789 HD23 HD23 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -83.85 -50.54 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.437 ' CG ' ' CD ' ' A' ' 94' ' ' LYS . 10.5 pt-20 -47.93 -52.95 17.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.615 ' OD1' ' CE2' ' A' ' 117' ' ' PHE . 20.4 t0 -55.43 -37.57 67.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.87 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.2 tp -69.22 -61.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -20.19 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -68.46 -10.99 59.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.486 HD13 HG23 ' A' ' 73' ' ' ILE . 50.7 mt -97.28 -7.96 30.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.537 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -63.61 -49.76 75.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.03 -41.72 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 108' ' ' ILE . 7.5 mt -51.84 -46.11 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.697 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -59.35 -33.53 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -78.82 -40.58 32.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -89.35 16.35 7.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.546 HD11 HG22 ' A' ' 69' ' ' THR . 0.4 OUTLIER -50.32 -50.74 20.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.7 mt -57.68 -53.69 55.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.5 t -86.65 44.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.602 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 50.3 t80 -105.34 115.0 29.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 113' ' ' LYS . 34.0 m120 -88.74 44.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.602 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 4.2 mttt 44.32 -166.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 73.45 76.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.86 146.01 77.26 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.07 19.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.615 ' CE2' ' OD1' ' A' ' 97' ' ' ASP . 70.1 m-85 -120.88 177.7 5.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -106.18 94.29 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.979 HG11 ' SG ' ' A' ' 76' ' ' CYS . 18.8 m -139.0 131.96 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.88 145.1 73.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.74 34.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.82 HG21 ' CD ' ' A' ' 50' ' ' GLN . 4.7 mt -98.75 132.14 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.04 163.81 28.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -103.42 -145.03 14.44 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.486 1.116 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 78.35 2.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.28 123.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.961 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.51 171.55 13.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 m -82.33 127.9 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -171.58 -60.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.65 -112.53 0.57 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.56 131.59 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m 63.47 145.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.45 95.47 1.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.482 ' HG3' HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -55.7 -45.98 77.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.996 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 11' ' ' VAL . 67.1 m 65.62 32.47 9.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.016 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' VAL . 24.6 tt0 67.57 -59.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.655 HG23 ' H ' ' A' ' 12' ' ' THR . 5.0 m -37.76 -61.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.655 ' H ' HG23 ' A' ' 11' ' ' VAL . 3.1 m -62.94 -50.49 70.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -46.96 -42.25 17.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -36.66 50.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HG ' ' CE3' ' A' ' 19' ' ' TRP . 8.5 tp -67.42 -66.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.42 HD22 ' HB ' ' A' ' 108' ' ' ILE . 72.9 mt -42.3 -28.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' N ' ' C ' ' A' ' 15' ' ' LEU . 21.7 mm-40 -80.5 -68.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.495 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -44.55 -34.75 2.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.784 ' HB3' HD13 ' A' ' 105' ' ' LEU . 4.6 m0 -64.91 -60.98 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 108.011 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.67 -35.35 62.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.71 73.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.8 m -66.81 -62.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.794 HD11 ' HG ' ' A' ' 98' ' ' LEU . 58.3 tp -49.5 -58.48 5.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.425 ' NE ' ' OE2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -42.88 -60.93 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -53.5 -34.0 56.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.5 -30.68 78.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' HB2' ' HD2' ' A' ' 99' ' ' LYS . . . -76.82 -28.34 55.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -49.1 77.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CE1' ' OE1' ' A' ' 37' ' ' GLU . 27.9 m-85 -61.35 -52.37 64.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -45.31 -61.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.64 -72.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 3.2 m0 -48.53 -72.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 107.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 152.41 43.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.49 ' CB ' ' HB3' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -108.5 49.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.323 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.516 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 4.3 mt -42.52 -52.2 4.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.752 HG13 ' H ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -40.68 -72.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.752 ' H ' HG13 ' A' ' 36' ' ' VAL . 12.5 mt-10 -51.11 -40.65 58.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -53.37 -54.78 31.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.623 HG23 ' HB3' ' A' ' 81' ' ' SER . 6.2 mt -54.69 -47.35 73.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.482 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -55.16 -56.2 22.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -49.76 -66.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.736 ' CE1' HD21 ' A' ' 98' ' ' LEU . 21.5 m-85 -45.21 -64.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.627 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 62.7 mt-30 -41.74 -64.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -41.36 -62.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.536 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 14.8 tp -51.14 -39.16 55.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -58.79 -48.93 79.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -58.51 -46.92 85.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -55.33 -54.61 41.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.666 HD13 ' HB ' ' A' ' 73' ' ' ILE . 49.0 mt -40.63 -42.13 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.632 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 71.0 mt-30 -63.15 -51.29 67.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.87 -31.41 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 50' ' ' GLN . 8.7 mm-40 -96.02 -34.52 11.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.632 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -68.48 -58.97 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 50' ' ' GLN . 7.3 pt20 -83.22 49.44 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.26 -65.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.35 167.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -40.15 100.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.563 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.2 t30 176.67 -47.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -166.23 100.14 0.62 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.7 m -167.05 153.07 7.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.04 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -114.91 -34.59 5.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -77.62 167.23 21.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.53 HG22 ' CD ' ' A' ' 66' ' ' GLN . 9.8 t -86.19 165.35 16.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -47.23 -44.13 22.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 68' ' ' LYS . 49.0 mt-10 -59.26 -66.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.53 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -38.19 -62.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.345 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.609 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -51.96 -40.7 61.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -45.15 -48.82 12.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER -68.81 -46.68 68.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.354 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 67' ' ' LYS . 18.3 mt -39.32 -50.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.498 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -68.18 -49.42 46.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.509 ' HB3' HG23 ' A' ' 119' ' ' VAL . 76.7 mttt -49.51 -34.49 17.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.821 HD13 ' HG ' ' A' ' 105' ' ' LEU . 77.0 mt -63.64 -54.91 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.464 ' HB3' HD13 ' A' ' 122' ' ' ILE . . . -46.63 -49.39 19.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.402 ' OG1' HD11 ' A' ' 122' ' ' ILE . 2.1 m -46.25 -54.42 8.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.457 ' SG ' HG21 ' A' ' 119' ' ' VAL . 93.1 m -52.12 -52.03 54.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 46' ' ' ALA . 11.0 mt -44.63 -61.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -40.58 -32.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.7 mt -74.76 -56.8 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.621 ' CZ ' HD21 ' A' ' 84' ' ' LEU . 23.1 tpt180 -50.18 -66.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.623 ' HB3' HG23 ' A' ' 39' ' ' ILE . 58.6 m -40.22 -58.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 85' ' ' GLN . . . -55.18 -52.47 63.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -40.77 -35.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.621 HD21 ' CZ ' ' A' ' 80' ' ' ARG . 22.7 mt -73.11 -51.11 19.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 82' ' ' ALA . 11.9 mt-30 -59.72 -53.04 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.1 134.25 52.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.8 m -144.09 112.44 6.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.44 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.53 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 91' ' ' GLU . 67.8 p -159.1 80.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.62 93.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 89' ' ' SER . 2.4 tt0 -136.19 9.86 3.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.49 -148.09 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.127 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.581 ' CZ ' ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -74.14 145.89 43.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.468 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -107.08 -170.15 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.724 HD12 HD23 ' A' ' 98' ' ' LEU . 24.2 tp -79.11 -54.28 6.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 10.1 pt-20 -49.79 -44.08 48.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.46 ' HB3' ' CE1' ' A' ' 117' ' ' PHE . 74.7 m-20 -66.15 -26.24 67.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.794 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.8 tp -78.08 -46.65 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.411 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -64.28 -13.1 47.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -70.52 -7.43 43.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.719 HD13 HG23 ' A' ' 73' ' ' ILE . 60.6 mt -102.67 -7.07 22.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -63.05 -50.31 77.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -74.96 -35.55 3.11 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.707 HG23 ' CD2' ' A' ' 111' ' ' TYR . 64.6 mt -57.14 -44.28 83.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.821 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.5 mt -71.77 -35.34 70.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -67.25 -53.58 28.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 111' ' ' TYR . 32.0 m-80 -92.02 31.34 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.715 HG13 HD23 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -48.39 -42.65 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.482 HD11 ' HG3' ' A' ' 8' ' ' MET . 52.3 mt -65.43 -48.73 71.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.433 HG23 ' OD1' ' A' ' 107' ' ' ASN . 1.7 t -109.2 55.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.707 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.1 OUTLIER -107.08 140.19 40.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -73.12 118.12 15.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.503 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -63.45 -167.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.8 tt0 84.68 -45.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.4 OUTLIER 65.71 137.55 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.01 -46.1 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.581 ' CE1' ' CZ ' ' A' ' 93' ' ' PHE . 94.0 m-85 -77.67 135.82 38.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -74.06 66.46 1.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.509 HG23 ' HB3' ' A' ' 72' ' ' LYS . 16.8 m -121.27 141.57 41.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -98.84 167.55 11.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.83 14.79 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.532 HG21 ' CD ' ' A' ' 50' ' ' GLN . 1.4 mt -73.32 125.61 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 96.6 p -152.46 159.23 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.967 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -83.52 -120.97 0.77 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -36.51 2.52 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.3 m -86.61 108.35 18.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.12 121.43 27.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.535 1.147 . . . . 0.0 110.948 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 p -137.37 100.26 4.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -140.39 147.06 39.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.74 -137.24 2.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -48.5 142.86 5.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.61 86.0 7.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.07 -137.66 2.43 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 ttm -66.35 135.68 54.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -142.27 62.99 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.014 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 64.81 -75.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 9' ' ' SER . 21.7 m -41.06 -43.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 1.043 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 67.7 m -56.0 -50.39 70.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.18 -36.43 63.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m -72.81 -26.57 61.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.702 HD13 ' CH2' ' A' ' 19' ' ' TRP . 4.3 mt -71.29 -62.64 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.624 HD21 ' CG2' ' A' ' 108' ' ' ILE . 33.3 mt -43.95 -27.08 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' A' ' 15' ' ' LEU . 7.3 mm100 -85.47 -70.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.488 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -42.81 -34.84 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.778 ' HB3' HD22 ' A' ' 105' ' ' LEU . 8.5 m0 -66.99 -67.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 107.968 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.41 -33.29 3.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.77 99.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.454 ' HB2' HD22 ' A' ' 45' ' ' LEU . 26.0 m -58.9 -65.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.832 HD11 ' HG ' ' A' ' 98' ' ' LEU . 36.0 tp -43.39 -58.53 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 7.2 mmt180 -44.3 -64.11 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -51.93 -51.16 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.263 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.27 -28.88 1.51 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 24' ' ' ARG . . . -80.12 -50.32 10.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -43.21 -47.93 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -62.38 -60.36 3.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -46.78 -59.01 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -39.01 -73.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.951 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -46.16 -72.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.056 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.57 43.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.548 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 9.6 mm-40 -112.67 73.6 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 39' ' ' ILE . 9.5 mt -63.49 -50.89 67.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.1 t -50.15 -68.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -41.1 64.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -56.68 -64.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.946 HG13 HD12 ' A' ' 84' ' ' LEU . 4.8 mt -41.95 -59.47 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.452 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -41.75 -55.5 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -48.54 -69.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.409 ' CE1' HD21 ' A' ' 98' ' ' LEU . 19.9 m-85 -43.85 -67.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.659 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 45.6 mt-30 -39.08 -64.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 45' ' ' LEU . 1.1 mp -41.63 -61.94 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.537 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 16.0 tp -51.22 -35.93 39.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -62.57 -48.6 78.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -49.85 74.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -52.98 -55.22 25.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.61 HD21 HD21 ' A' ' 105' ' ' LEU . 68.1 mt -41.0 -56.64 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.501 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 30.0 mt-30 -47.17 -49.04 23.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.806 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -40.72 -29.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.613 ' HB2' HG21 ' A' ' 70' ' ' ILE . 2.5 mt-10 -94.79 -38.66 10.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -64.04 -49.55 71.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -93.77 42.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.806 ' HB2' ' O ' ' A' ' 51' ' ' LYS . . . -119.52 66.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -59.05 -67.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -139.3 67.61 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.643 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -141.39 -47.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -162.34 -169.25 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 73.82 137.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -116.12 27.67 9.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 1.043 ' CZ ' HG23 ' A' ' 12' ' ' THR . 9.8 m-85 -97.68 143.13 28.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.532 HG22 ' CD ' ' A' ' 66' ' ' GLN . 7.4 t -65.42 179.15 0.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -68.18 -38.61 82.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' CA ' ' HE2' ' A' ' 113' ' ' LYS . 0.7 OUTLIER -62.73 -41.12 99.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.606 ' CD ' HD23 ' A' ' 109' ' ' LEU . 5.5 mt-30 -68.12 -55.79 11.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.701 ' HA ' HD12 ' A' ' 70' ' ' ILE . 3.8 mtpt -49.1 -52.62 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -43.52 -58.6 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.57 ' OG1' ' CE1' ' A' ' 111' ' ' TYR . 2.5 m -57.06 -52.46 65.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 67' ' ' LYS . 71.1 mt -41.37 -47.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.627 ' O ' HD13 ' A' ' 122' ' ' ILE . . . -66.55 -39.89 94.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 3.0 mttt -61.81 -31.07 71.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.935 HD13 ' HG ' ' A' ' 105' ' ' LEU . 89.5 mt -66.69 -53.22 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -50.42 -52.27 39.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.404 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 1.2 m -38.77 -59.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.751 ' HA ' HD22 ' A' ' 79' ' ' LEU . 62.3 m -46.97 -57.24 5.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.578 HD12 ' CA ' ' A' ' 46' ' ' ALA . 5.6 mt -37.99 -63.76 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.67 -43.57 2.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -66.03 -50.97 62.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 22.5 tpt180 -58.13 -63.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.67 ' HB3' HG23 ' A' ' 39' ' ' ILE . 74.0 m -39.99 -55.56 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.33 -50.53 73.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -40.57 -43.08 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.946 HD12 HG13 ' A' ' 39' ' ' ILE . 11.1 mt -60.99 -54.14 48.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -52.63 -42.02 64.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.32 160.06 4.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 87' ' ' THR . 9.1 t -89.17 39.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 90' ' ' GLN . 22.7 tt0 77.94 -58.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.7 t -51.31 93.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 88' ' ' GLN . 1.7 mt-30 -173.9 -179.57 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -136.08 46.18 2.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.29 -144.61 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.271 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.543 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -85.95 152.72 22.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.54 -168.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.788 HD23 HD23 ' A' ' 98' ' ' LEU . 1.2 mt -82.22 -51.39 7.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.49 -48.54 65.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -62.41 -28.94 70.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.832 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.6 tp -74.15 -51.92 14.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -57.21 -17.59 12.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -5.24 35.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.743 HD23 HD12 ' A' ' 104' ' ' ILE . 56.5 mt -98.91 -3.01 36.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -67.02 -49.95 44.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.4 Cg_endo -74.99 -33.34 4.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.743 HD12 HD23 ' A' ' 101' ' ' LEU . 96.8 mt -60.27 -51.38 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.935 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -65.13 -32.51 74.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.248 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -70.75 -55.55 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 111' ' ' TYR . 31.8 m-80 -92.47 25.91 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.624 ' CG2' HD21 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -45.14 -35.27 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.606 HD23 ' CD ' ' A' ' 66' ' ' GLN . 29.4 mt -76.32 -55.19 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -97.35 48.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.57 ' CE1' ' OG1' ' A' ' 69' ' ' THR . 0.0 OUTLIER -107.93 134.47 50.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.26 134.3 49.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.417 ' HE2' ' CA ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -66.11 -171.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 62.33 71.24 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.55 ' CD2' ' CG2' ' A' ' 119' ' ' VAL . 0.2 OUTLIER -37.21 150.48 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.484 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.03 -16.48 20.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -120.48 158.36 27.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -78.02 85.48 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.55 ' CG2' ' CD2' ' A' ' 115' ' ' PHE . 3.7 m -135.58 130.54 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.49 158.31 51.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 127.07 10.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.627 HD13 ' O ' ' A' ' 71' ' ' GLY . 1.2 mp -45.2 139.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 t 62.94 122.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 174.14 -171.83 44.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.9 11.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.4 t -61.43 98.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.3 t -46.46 -58.01 4.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.053 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 p 57.72 169.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.76 . . . . 0.0 110.032 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -144.18 -59.75 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.987 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.73 111.16 4.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.29 117.18 32.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 0.779 . . . . 0.0 109.998 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.59 102.99 7.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' O ' HG21 ' A' ' 12' ' ' THR . . . -88.63 74.33 2.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.581 ' SD ' HD11 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -119.85 118.34 30.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 110.996 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 10' ' ' GLU . 1.5 t -102.85 -38.65 7.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.994 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 9' ' ' SER . 7.3 tt0 159.27 -25.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 m -98.61 -32.08 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.478 HG21 ' O ' ' A' ' 7' ' ' GLY . 11.2 m -47.49 -48.31 27.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.423 1.077 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -37.21 65.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -31.01 71.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.31 -48.34 61.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.252 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.533 HD11 ' HG ' ' A' ' 109' ' ' LEU . 30.1 mt -55.77 -18.64 8.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' ALA . 1.1 mt-30 -86.33 -64.39 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -48.8 -30.46 5.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.552 ' CZ2' ' HG3' ' A' ' 52' ' ' GLU . 2.9 m0 -70.54 -63.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 108.031 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.25 -19.72 47.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 17' ' ' GLN . . . -76.94 -24.57 52.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -77.4 -59.15 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.897 HD11 ' HG ' ' A' ' 98' ' ' LEU . 32.8 tp -53.94 -59.16 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -40.33 -52.86 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -61.79 -48.4 80.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.538 ' HA3' ' CE1' ' A' ' 42' ' ' TYR . . . -45.01 -30.39 2.46 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.504 ' HB2' ' HD2' ' A' ' 99' ' ' LYS . . . -79.73 -44.17 21.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 32' ' ' TRP . 1.2 m-20 -54.57 -35.08 62.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -73.11 -54.92 7.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -50.32 -58.69 5.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -38.95 -67.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.0 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CD2' ' O ' ' A' ' 28' ' ' ASP . 9.8 m0 -51.47 -71.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.25 43.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 15.1 mm-40 -113.04 71.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.42 -51.27 70.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -48.56 -68.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.48 -38.25 63.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -59.8 -57.23 13.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.726 HG13 HD12 ' A' ' 84' ' ' LEU . 7.6 mt -53.02 -60.45 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.418 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -47.09 -54.33 10.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -48.1 -48.45 33.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.538 ' CE1' ' HA3' ' A' ' 26' ' ' GLY . 20.4 m-85 -66.95 -63.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 40.3 mt-30 -42.8 -61.6 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.512 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.3 mp -41.45 -54.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.523 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 7.0 tp -61.82 -42.79 99.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.49 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -53.75 -45.98 70.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -63.04 -43.4 98.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.512 ' CE1' HG23 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -58.71 -51.68 68.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.574 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 105' ' ' LEU . 63.5 mt -42.71 -40.93 2.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.547 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 2.9 mt-30 -63.25 -52.47 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -29.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.552 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 11.9 mm-40 -96.34 -29.98 13.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -76.74 -64.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' GLN . 4.9 pt20 -73.44 -37.99 65.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 59' ' ' ASN . . . 37.93 86.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -89.61 20.83 3.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.33 -58.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.601 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' SER . 25.8 p-10 -81.92 61.65 5.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.452 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 0.8 OUTLIER -39.29 97.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 58' ' ' ASN . 45.7 p -45.35 138.98 3.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.08 47.27 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -126.22 148.24 49.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 111.059 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.515 HG23 ' HG2' ' A' ' 65' ' ' GLU . 1.7 t -65.55 174.65 2.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.375 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.439 ' N ' ' OG1' ' A' ' 63' ' ' THR . 2.4 tt0 -63.05 -52.58 62.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 63' ' ' THR . 9.9 pt-20 -53.67 -22.52 9.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.468 ' HG3' ' CG2' ' A' ' 63' ' ' THR . 79.7 mt-30 -80.38 -68.79 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -44.83 -41.78 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -48.37 -48.33 36.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.712 HG22 HD11 ' A' ' 108' ' ' ILE . 1.2 m -73.2 -54.85 7.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.5 ' HA ' HD12 ' A' ' 73' ' ' ILE . 86.9 mt -41.43 -49.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.38 -40.69 94.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -61.52 -40.88 96.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.923 HD13 ' HG ' ' A' ' 105' ' ' LEU . 97.1 mt -50.55 -52.86 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -53.44 -55.79 22.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.581 HG21 ' HB ' ' A' ' 119' ' ' VAL . 0.9 OUTLIER -38.29 -53.5 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 110.381 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 93' ' ' PHE . 92.1 m -52.61 -52.06 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 108.288 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.49 HD12 ' CA ' ' A' ' 46' ' ' ALA . 14.8 mt -44.13 -59.45 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -42.45 -27.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 76' ' ' CYS . 23.1 mt -79.88 -55.62 4.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.483 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 21.0 tpt180 -52.35 -60.31 3.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.576 ' HB3' HG23 ' A' ' 39' ' ' ILE . 70.9 m -44.01 -59.52 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.047 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.51 -51.31 65.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -41.22 -38.08 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.726 HD12 HG13 ' A' ' 39' ' ' ILE . 16.4 mt -69.8 -53.47 18.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -55.49 -39.51 70.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.71 162.88 7.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.0 t -75.88 156.44 34.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.53 90.26 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.9 t -179.85 -46.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.12 171.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -128.5 61.29 1.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -91.95 -147.53 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -73.37 145.34 45.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.413 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -108.75 -169.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.64 HD12 HD23 ' A' ' 98' ' ' LEU . 15.0 tp -79.93 -54.35 5.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 0.6 OUTLIER -51.16 -31.97 21.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.437 ' N ' ' HG3' ' A' ' 96' ' ' GLU . 65.0 m-20 -78.82 -28.53 44.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.897 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -79.06 -45.47 20.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.504 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -64.37 -12.19 40.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.465 ' HD2' ' CG ' ' A' ' 116' ' ' PRO . 0.1 OUTLIER -69.1 -10.54 58.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.506 HD11 ' CB ' ' A' ' 76' ' ' CYS . 11.8 mt -104.82 5.62 33.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.563 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -75.1 -49.48 4.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.02 -34.89 3.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 107' ' ' ASN . 14.6 mt -58.13 -61.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.923 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.9 mt -42.51 -36.22 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -45.91 32.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' TYR . 5.9 m-20 -89.93 33.85 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.712 HD11 HG22 ' A' ' 69' ' ' THR . 1.0 OUTLIER -77.54 -32.35 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.581 HD11 ' SD ' ' A' ' 8' ' ' MET . 26.3 mt -60.06 -51.13 70.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.551 HG23 ' N ' ' A' ' 111' ' ' TYR . 9.0 t -91.23 -55.96 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.438 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.616 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 7.1 t80 45.05 -176.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 113' ' ' LYS . 0.7 OUTLIER -168.45 33.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.5 OUTLIER 39.25 -157.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.81 34.53 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.499 ' HZ ' HD22 ' A' ' 101' ' ' LEU . 0.5 OUTLIER -39.55 147.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.537 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.5 Cg_endo -74.98 -2.13 12.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.537 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 46.0 m-85 -133.93 147.48 51.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -89.75 52.64 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.581 ' HB ' HG21 ' A' ' 75' ' ' THR . 7.2 m -91.35 162.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.18 157.84 33.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 129.75 12.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.7 mt -66.77 115.49 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 67.01 92.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -79.61 178.15 53.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 164.15 33.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.88 134.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.26 87.08 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.053 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.94 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 p 55.71 168.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -53.73 -58.38 7.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.36 -61.15 0.52 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.16 123.92 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 0.753 . . . . 0.0 110.033 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m -70.78 131.23 43.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.04 -114.99 1.0 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.7 58.36 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.03 -179.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' HG3' HG23 ' A' ' 11' ' ' VAL . 6.3 pt-20 -104.23 -38.24 6.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.47 HG23 ' HG3' ' A' ' 10' ' ' GLU . 39.1 t -77.34 -52.4 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.4 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 37.3 m -50.83 -48.56 59.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -52.34 -57.7 8.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.98 -33.9 11.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.657 HD13 ' CH2' ' A' ' 19' ' ' TRP . 1.5 mt -70.83 -57.09 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.8 mt -54.66 -19.63 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -93.41 -60.02 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -51.79 -32.48 31.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.657 ' CH2' HD13 ' A' ' 15' ' ' LEU . 8.4 m0 -67.1 -65.0 0.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.86 -26.49 4.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.55 -41.34 84.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -59.8 -64.21 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.793 HD11 ' HG ' ' A' ' 98' ' ' LEU . 24.2 tp -47.85 -55.15 10.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -42.81 -50.31 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.52 -47.01 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.8 -26.09 7.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.42 -40.04 14.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.28 -43.08 87.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 25.1 m-85 -62.87 -57.3 11.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.0 -54.92 11.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -43.04 -70.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -47.05 -72.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 108.018 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.43 43.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 14.1 mm100 -115.68 72.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.503 ' N ' HD23 ' A' ' 35' ' ' LEU . 3.8 mt -63.75 -52.25 61.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.2 t -50.1 -57.69 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.577 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.8 mt-10 -62.17 -35.42 78.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -61.09 -63.57 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.619 HG13 HD12 ' A' ' 84' ' ' LEU . 4.2 mt -44.12 -54.84 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.1 t70 -41.92 -53.04 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -52.05 -65.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.515 ' CE1' HD21 ' A' ' 98' ' ' LEU . 22.3 m-30 -45.96 -62.76 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.635 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 38.8 mt-30 -45.77 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.413 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -41.44 -61.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.412 ' N ' HG22 ' A' ' 44' ' ' ILE . 15.3 tp -51.38 -36.3 42.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -63.1 -42.82 99.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.47 ' HE ' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -60.26 -46.13 90.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -57.79 -54.48 46.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 109.627 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.531 ' CD2' HG23 ' A' ' 70' ' ' ILE . 93.3 mt -41.8 -46.53 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.63 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 17.0 mt-30 -59.97 -51.4 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.34 -32.07 1.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -96.69 -26.24 15.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.63 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -79.27 -73.08 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 55' ' ' ALA . 9.9 pt20 -84.52 -38.7 19.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 54' ' ' GLN . . . 63.06 121.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -39.39 -62.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -115.48 -73.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.611 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -167.5 91.91 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -157.16 89.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 73.4 p -166.85 118.8 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -90.15 39.44 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.413 ' HA ' ' OE1' ' A' ' 66' ' ' GLN . 67.7 m-85 -122.56 162.2 22.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 111.039 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.1 t -98.16 158.06 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HA ' ' CG ' ' A' ' 67' ' ' LYS . 16.1 mt-10 -39.91 -40.93 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -62.21 -50.18 72.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.634 ' NE2' HD23 ' A' ' 109' ' ' LEU . 31.2 mt-30 -61.8 -65.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.626 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -46.17 -45.53 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 67' ' ' LYS . 4.7 mmtm -40.1 -66.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.616 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 17.5 m -54.77 -55.66 27.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.448 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.656 ' HA ' HD12 ' A' ' 73' ' ' ILE . 27.5 mt -38.97 -47.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.414 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -64.36 -43.89 96.19 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' THR . 25.7 mttt -60.96 -46.46 90.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.792 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.946 HD13 ' HG ' ' A' ' 105' ' ' LEU . 46.0 mt -49.54 -53.46 9.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -51.33 -58.63 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.495 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 1.3 m -38.5 -50.15 1.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.812 ' SG ' HG11 ' A' ' 119' ' ' VAL . 99.0 m -55.42 -53.36 57.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.528 HD12 ' CA ' ' A' ' 46' ' ' ALA . 10.0 mt -41.94 -62.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -38.99 -33.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 76' ' ' CYS . 23.9 mt -73.14 -57.68 3.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.677 ' NH2' HD13 ' A' ' 95' ' ' LEU . 29.8 tpt180 -46.73 -67.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.581 ' HB3' HG23 ' A' ' 39' ' ' ILE . 68.9 m -44.77 -66.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -43.04 -55.37 3.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -41.82 -46.5 3.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.619 HD12 HG13 ' A' ' 39' ' ' ILE . 9.2 mt -61.72 -54.06 47.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -52.57 -47.23 66.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.22 -175.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.667 HG23 ' N ' ' A' ' 88' ' ' GLN . 0.7 OUTLIER -176.22 -168.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.392 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.667 ' N ' HG23 ' A' ' 87' ' ' THR . 1.8 mm100 55.82 85.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.74 89.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -91.77 151.14 20.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.29 22.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 10.2 mp0 -88.69 -147.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.82 142.76 46.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -107.72 -169.86 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.677 HD13 ' NH2' ' A' ' 80' ' ' ARG . 13.5 tp -78.04 -54.69 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 9.1 pt-20 -48.65 -40.02 26.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 96' ' ' GLU . 55.3 m-20 -72.17 -28.99 63.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.793 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -78.06 -50.02 12.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -20.0 4.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -8.98 38.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.663 HD23 HD12 ' A' ' 104' ' ' ILE . 98.2 mt -94.78 -3.81 48.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.543 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -71.17 -49.29 12.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.5 Cg_endo -74.99 -29.03 8.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.663 HD12 HD23 ' A' ' 101' ' ' LEU . 18.3 mt -63.46 -70.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.946 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.1 mt -42.62 -32.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -46.52 19.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 104' ' ' ILE . 5.3 m-80 -88.39 22.45 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -51.82 -51.08 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.634 HD23 ' NE2' ' A' ' 66' ' ' GLN . 30.8 mt -62.49 -42.65 99.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.437 HG23 ' OD1' ' A' ' 107' ' ' ASN . 1.4 t -96.98 46.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.616 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 45.6 t80 -108.12 120.53 42.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 113' ' ' LYS . 3.3 m-20 -100.13 44.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.609 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.6 OUTLIER 43.44 -166.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 3.9 tt0 82.59 48.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.602 ' CD1' ' OH ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -46.02 143.95 3.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.571 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -74.98 -12.04 21.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 19.8 m-85 -125.25 152.31 44.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -78.57 91.82 4.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.812 HG11 ' SG ' ' A' ' 76' ' ' CYS . 4.4 m -139.3 132.07 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.07 156.67 43.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 132.47 15.47 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.481 1.78 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.495 ' CD1' ' OG1' ' A' ' 75' ' ' THR . 2.3 mt -77.34 130.54 36.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 93.4 p -147.32 161.99 39.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -131.1 171.07 21.14 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 69.31 5.54 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.9 p -134.59 158.72 43.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.08 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.07 134.66 46.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.3 p -106.46 140.06 39.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 0.781 . . . . 0.0 109.967 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.35 86.64 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.949 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.17 -138.87 3.61 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t 53.73 93.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.964 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 p -108.35 153.29 23.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.76 -138.81 4.73 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.487 ' CG ' ' O ' ' A' ' 8' ' ' MET . 0.6 OUTLIER -78.95 65.49 4.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 0.0 111.013 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 m 50.53 -175.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -107.47 -36.4 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.5 t -68.91 -47.77 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.56 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 98.4 m -60.83 -49.72 76.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -54.83 -47.78 73.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 t -59.05 -30.85 68.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.751 HD13 ' CH2' ' A' ' 19' ' ' TRP . 1.4 mt -64.99 -53.14 50.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.48 -16.17 22.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -92.84 -56.41 3.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.44 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -56.99 -34.15 67.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.751 ' CH2' HD13 ' A' ' 15' ' ' LEU . 8.0 m0 -64.98 -62.68 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 108.041 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.4 -33.2 24.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.1 50.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.405 ' HB2' HD22 ' A' ' 45' ' ' LEU . 38.9 m -48.4 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.689 HD23 ' HB2' ' A' ' 102' ' ' GLU . 42.3 tp -41.19 -54.21 2.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.58 -61.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.46 ' CG ' ' OD2' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -56.13 -51.89 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.43 -29.0 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . -83.13 -48.76 10.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.46 ' OD2' ' CG ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -46.33 -39.88 10.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -67.01 -62.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.19 -56.44 6.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.88 -58.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -64.39 -49.47 71.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 108.026 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.06 44.31 0.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.426 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 10.1 mm-40 -111.95 72.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.245 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.415 ' O ' HD12 ' A' ' 39' ' ' ILE . 8.2 mt -62.28 -51.17 68.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.6 t -47.75 -66.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.3 -43.15 74.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -54.88 -57.92 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.73 HG23 ' HB3' ' A' ' 81' ' ' SER . 6.1 mt -45.82 -57.66 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -55.79 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -49.0 -66.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -47.19 -58.87 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 111.026 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.681 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 46.7 mt-30 -47.41 -66.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 45' ' ' LEU . 1.3 mp -41.33 -62.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.486 ' N ' HG22 ' A' ' 44' ' ' ILE . 27.3 tp -49.1 -36.89 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -61.32 -52.78 63.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -51.75 -49.32 62.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' LEU . 94.8 m-70 -52.65 -57.54 9.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 109.625 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.703 HD13 ' HB ' ' A' ' 73' ' ' ILE . 24.4 mt -40.34 -47.3 2.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.593 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 52.5 mt-30 -57.23 -50.76 71.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.546 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 2.5 tptt -40.15 -30.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 50' ' ' GLN . 7.1 mm-40 -96.17 -36.35 10.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -67.41 -64.26 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 2.9 pt20 -57.44 -21.98 40.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 51' ' ' LYS . . . -97.38 101.49 13.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -78.42 -62.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -104.7 -58.22 1.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.589 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -42.64 111.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m120 43.54 89.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.0 p 175.05 115.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -105.54 42.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CZ ' HG23 ' A' ' 12' ' ' THR . 60.1 m-85 -126.9 152.57 46.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.545 HG22 ' CD ' ' A' ' 66' ' ' GLN . 9.0 t -80.91 158.87 25.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' THR . 2.2 tt0 -39.04 -54.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' GLN . 66.8 mt-10 -52.42 -62.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.67 ' NE2' HD23 ' A' ' 109' ' ' LEU . 1.4 mt-30 -38.41 -67.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 64' ' ' GLU . 6.0 ptmm? -51.52 -40.76 60.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.9 -66.24 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.544 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.0 OUTLIER -55.05 -49.98 70.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.663 HG23 HD22 ' A' ' 49' ' ' LEU . 43.8 mt -40.39 -48.52 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -63.61 -57.71 13.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -41.76 -48.73 4.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.703 ' HB ' HD13 ' A' ' 49' ' ' LEU . 79.0 mt -47.39 -55.41 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.629 ' HB3' ' CD1' ' A' ' 122' ' ' ILE . . . -50.38 -57.69 7.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -40.55 -52.71 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.793 ' SG ' HG11 ' A' ' 119' ' ' VAL . 7.1 m -53.33 -51.2 63.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.326 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' A' ' 46' ' ' ALA . 15.9 mt -45.54 -58.44 3.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -42.91 -29.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.0 mt -76.37 -48.75 18.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.412 ' NH2' ' HB2' ' A' ' 95' ' ' LEU . 28.0 tpt180 -59.25 -67.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.73 ' HB3' HG23 ' A' ' 39' ' ' ILE . 73.2 m -40.25 -53.75 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.95 -51.9 66.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.23 -34.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.607 HD12 HG13 ' A' ' 39' ' ' ILE . 31.4 mt -72.56 -52.46 15.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -55.64 -40.25 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.8 104.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.3 t -81.48 -28.92 33.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -86.33 -90.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.0 t -161.17 161.78 31.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER 173.46 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' GLN . 3.6 tt0 38.67 62.76 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.35 -0.44 57.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.586 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.5 OUTLIER 176.81 141.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -105.95 -170.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.546 HD12 ' CD2' ' A' ' 98' ' ' LEU . 39.7 tp -80.43 -53.06 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 6.3 pt-20 -50.43 -53.87 26.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.476 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 67.3 m-20 -50.77 -32.91 21.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.682 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -74.87 -47.27 31.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.491 ' CD ' ' HG ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -57.87 -16.58 12.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -75.77 -1.86 27.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.565 HD22 ' HZ ' ' A' ' 115' ' ' PHE . 34.2 mt -102.57 -0.46 32.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.689 ' HB2' HD23 ' A' ' 23' ' ' LEU . 1.2 tt0 -74.35 -51.72 4.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -74.99 -29.16 8.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 111.04 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.491 HG23 ' CD1' ' A' ' 111' ' ' TYR . 20.6 mt -61.88 -42.2 93.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.633 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.8 mt -73.24 -33.91 65.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -69.53 -52.1 29.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 111' ' ' TYR . 65.4 m-20 -91.99 30.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -50.39 -49.39 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.67 HD23 ' NE2' ' A' ' 66' ' ' GLN . 29.7 mt -61.05 -47.03 88.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 t -106.29 52.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.544 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 0.7 OUTLIER -111.01 132.22 54.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.36 115.26 11.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.455 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -53.25 -173.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 115' ' ' PHE . 2.9 mt-10 67.19 66.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.343 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.565 ' HZ ' HD22 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -36.94 149.03 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.522 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.3 Cg_endo -75.04 -26.3 10.98 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.611 ' O ' HG22 ' A' ' 119' ' ' VAL . 83.0 m-85 -105.15 143.67 33.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.33 80.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.793 HG11 ' SG ' ' A' ' 76' ' ' CYS . 9.2 m -136.67 134.55 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -97.13 159.39 31.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 132.28 15.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.426 1.751 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.629 ' CD1' ' HB3' ' A' ' 74' ' ' ALA . 3.2 mt -65.64 136.48 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.6 m 39.99 90.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -84.26 -172.7 49.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 159.31 41.4 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.79 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.18 135.29 25.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 79.6 p -72.97 144.55 47.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.939 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.938 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.69 170.37 14.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 p -120.97 111.81 17.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.028 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.62 133.03 31.08 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.577 1.173 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.87 86.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 0.731 . . . . 0.0 110.048 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m -69.1 156.99 37.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.037 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.62 -59.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.437 1.085 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.481 ' CG ' ' O ' ' A' ' 8' ' ' MET . 3.5 ttt 54.22 56.61 6.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 0.805 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.18 166.03 0.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.3 -31.65 14.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.2 m -79.15 -37.1 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.422 ' CG2' ' HA ' ' A' ' 8' ' ' MET . 85.4 m -65.15 -57.01 9.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -52.17 -37.61 55.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -34.83 68.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HG ' ' CZ3' ' A' ' 19' ' ' TRP . 7.6 tp -66.68 -67.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.511 ' CD1' HD11 ' A' ' 109' ' ' LEU . 90.9 mt -39.74 -29.78 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' LEU . 1.6 tt0 -83.86 -69.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.2 OUTLIER -40.51 -28.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.452 ' CZ3' ' HG ' ' A' ' 15' ' ' LEU . 6.1 m0 -69.98 -66.05 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 107.973 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.53 -35.66 29.69 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.28 -28.19 66.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.97 -43.97 32.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.812 HD11 ' HG ' ' A' ' 98' ' ' LEU . 21.1 tp -69.43 -53.37 19.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -28.29 35.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 -43.59 10.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.23 -18.72 21.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.22 -36.54 19.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.56 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . 61.7 m-20 -50.73 -44.06 58.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.529 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 26.1 m-85 -59.08 -60.48 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.6 OUTLIER -43.14 -64.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -39.35 -56.88 1.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.049 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.56 ' CZ2' ' HB3' ' A' ' 28' ' ' ASP . 16.5 m0 -61.87 -74.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 156.11 43.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -115.7 63.74 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 0.767 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 35' ' ' LEU . 6.1 mt -52.06 -53.04 46.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -45.28 -67.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.529 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.4 mt-10 -51.1 -43.8 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -52.73 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.618 HG13 HD12 ' A' ' 84' ' ' LEU . 11.8 mt -40.53 -68.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -41.03 -51.21 3.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -50.29 -57.11 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.518 ' CE1' HD21 ' A' ' 98' ' ' LEU . 21.1 m-85 -58.46 -51.53 69.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.407 ' NE2' ' CG2' ' A' ' 39' ' ' ILE . 84.0 mt-30 -52.83 -59.37 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.602 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.4 mp -44.74 -53.99 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.07 -42.85 91.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.579 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -58.89 -50.95 72.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -54.01 -47.44 71.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.602 ' CE1' HG23 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -54.37 -52.59 61.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.593 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD22 HG23 ' A' ' 70' ' ' ILE . 77.5 mt -40.57 -51.22 2.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.551 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 7.4 mt-30 -52.07 -49.11 64.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLN . 3.8 tptt -40.1 -30.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.571 ' HB2' HG21 ' A' ' 70' ' ' ILE . 17.4 mm-40 -95.82 -38.02 10.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.551 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -66.3 -62.22 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' GLN . 2.8 pt20 -69.8 -26.17 64.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.795 ' HB1' ' H ' ' A' ' 59' ' ' ASN . . . 47.31 84.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -41.52 107.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.7 m80 51.64 52.59 14.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.589 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 49.43 93.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.795 ' H ' ' HB1' ' A' ' 55' ' ' ALA . 1.2 t30 -157.82 104.99 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t 169.74 141.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 110.016 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -100.04 39.01 1.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -123.59 151.09 43.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.664 HG23 ' HG2' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -76.44 156.91 32.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.65 -55.62 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.664 ' HG2' HG23 ' A' ' 63' ' ' THR . 7.6 pt-20 -43.38 -42.01 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.415 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 31.0 mt-30 -70.9 -55.82 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -52.59 -44.5 65.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -44.15 71.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.525 HG22 HD11 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -74.49 -49.06 23.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.571 HG21 ' HB2' ' A' ' 52' ' ' GLU . 58.3 mt -39.83 -43.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.45 -55.01 20.0 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.434 1.084 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -47.69 -42.54 25.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.773 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.855 HD13 ' HG ' ' A' ' 105' ' ' LEU . 68.2 mt -51.44 -41.45 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.609 ' HB3' HD13 ' A' ' 122' ' ' ILE . . . -67.7 -50.57 56.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.439 ' N ' HD13 ' A' ' 122' ' ' ILE . 54.1 m -37.61 -51.27 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.437 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.842 ' HA ' HD22 ' A' ' 79' ' ' LEU . 92.7 m -55.11 -55.4 31.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 108.335 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.579 HD12 ' HB2' ' A' ' 46' ' ' ALA . 7.5 mt -38.2 -62.75 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -39.06 -44.44 1.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.842 HD22 ' HA ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -65.12 -49.53 69.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' A' ' 94' ' ' LYS . 14.4 tpt180 -57.62 -61.26 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.529 ' HB3' HG23 ' A' ' 39' ' ' ILE . 3.6 m -45.02 -49.63 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.25 -51.63 65.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -40.85 -43.94 2.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.618 HD12 HG13 ' A' ' 39' ' ' ILE . 17.8 mt -58.79 -52.23 66.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -58.14 -50.51 73.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.25 160.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.4 m -57.33 92.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 68.27 -75.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.7 85.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.041 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.04 -91.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -148.12 38.78 0.9 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.436 ' CD ' ' N ' ' A' ' 92' ' ' GLU . 6.9 mp0 -96.19 -140.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.247 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.572 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -87.88 150.12 23.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.423 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -108.44 -169.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.773 HD23 HD23 ' A' ' 98' ' ' LEU . 1.7 mt -80.99 -51.56 8.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.406 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 8.7 pt-20 -52.04 -46.03 64.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -65.91 -30.49 71.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.812 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.4 tp -73.81 -55.13 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -16.88 17.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.91 -8.02 45.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.925 HD23 HD12 ' A' ' 104' ' ' ILE . 81.0 mt -99.19 -9.52 23.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.642 ' HG2' HD23 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -59.31 -49.37 93.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.01 -34.68 3.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.925 HD12 HD23 ' A' ' 101' ' ' LEU . 66.9 mt -59.76 -49.1 85.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.855 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.6 mt -66.33 -35.05 79.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.15 -57.05 6.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 111' ' ' TYR . 7.1 m-80 -92.54 31.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.525 HD11 HG22 ' A' ' 69' ' ' THR . 0.3 OUTLIER -48.5 -32.53 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.511 HD11 ' CD1' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -76.05 -55.33 5.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.3 t -98.33 45.78 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.541 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 0.3 OUTLIER -105.37 144.27 32.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.958 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.96 113.43 15.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.541 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -60.69 -166.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.7 tm-20 84.18 -44.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.2 OUTLIER 70.94 137.25 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.511 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.4 Cg_endo -74.98 -44.38 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -79.29 -33.02 43.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.34 90.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.764 HG21 ' SG ' ' A' ' 76' ' ' CYS . 3.8 m -127.07 122.55 60.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' VAL . 0.6 OUTLIER -37.92 156.28 0.1 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 149.9 37.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 74' ' ' ALA . 1.2 tp -52.92 131.49 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.8 m 63.54 150.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -85.44 -138.71 4.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -36.94 2.26 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.34 82.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.977 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.9 m 54.39 171.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -104.07 -58.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.997 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.11 144.63 20.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.0 178.07 20.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.8 p -175.56 116.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -56.08 -61.56 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.96 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.45 -92.35 1.9 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.113 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.26 65.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 111.023 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER 59.72 -87.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 9' ' ' SER . 13.0 tt0 167.83 -38.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.63 -39.26 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.527 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 3.9 m -56.79 -45.96 81.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.408 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -39.84 69.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.76 -29.85 70.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.75 HD22 ' CE2' ' A' ' 19' ' ' TRP . 5.3 mt -70.17 -68.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' LEU . 43.0 mt -40.5 -29.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 15' ' ' LEU . 1.2 tt0 -86.26 -68.07 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -44.09 -34.17 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.75 ' CE2' HD22 ' A' ' 15' ' ' LEU . 10.0 m0 -68.66 -64.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.79 -25.41 4.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.05 -36.7 61.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 19' ' ' TRP . 0.6 OUTLIER -62.42 -57.76 10.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.719 HD11 ' HG ' ' A' ' 98' ' ' LEU . 57.7 tp -53.48 -60.58 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.73 -55.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' ASP . 4.2 ttt180 -57.77 -46.87 83.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.13 -32.67 9.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.9 -34.95 59.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.563 ' OD1' ' CZ2' ' A' ' 32' ' ' TRP . 1.8 t0 -51.48 -53.07 41.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.517 ' HB3' ' CB ' ' A' ' 34' ' ' GLN . 62.4 m-85 -62.69 -54.17 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -46.57 -60.81 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.26 -72.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.563 ' CZ2' ' OD1' ' A' ' 28' ' ' ASP . 12.1 m0 -47.03 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.38 43.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.517 ' CB ' ' HB3' ' A' ' 29' ' ' PHE . 11.8 mt-30 -111.18 49.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.741 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.493 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 5.1 mt -39.98 -55.56 2.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.745 HG13 ' H ' ' A' ' 37' ' ' GLU . 1.1 p -40.31 -72.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.745 ' H ' HG13 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -50.64 -44.87 57.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -48.55 -64.18 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 81' ' ' SER . 14.4 mt -45.06 -57.29 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.65 -65.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' CD ' ' C ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER -43.22 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.485 ' HE1' HD12 ' A' ' 23' ' ' LEU . 19.3 m-85 -42.49 -65.24 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.588 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 29.6 mt-30 -41.87 -67.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 45' ' ' LEU . 1.1 mp -40.23 -59.7 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 22.7 tp -53.64 -40.02 65.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.646 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -57.67 -46.6 84.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.24 -52.92 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.421 ' CE1' HG23 ' A' ' 44' ' ' ILE . 66.7 m80 -48.75 -51.32 29.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.52 HD22 HG23 ' A' ' 70' ' ' ILE . 76.8 mt -44.34 -44.58 8.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.524 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 14.9 mt-30 -56.89 -50.58 72.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -41.97 -28.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.587 ' OE1' ' CD1' ' A' ' 62' ' ' PHE . 2.2 mt-10 -96.0 -35.65 11.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -69.84 -59.07 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' A' ' 123' ' ' SER . 1.6 pt20 -105.29 42.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.689 ' HB1' ' O ' ' A' ' 58' ' ' ASN . . . -51.46 95.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.05 -67.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.57 -56.71 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.569 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.689 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 9.1 p-10 -109.15 166.96 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -117.74 98.02 6.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.1 p -39.27 156.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -90.88 24.9 2.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.587 ' CD1' ' OE1' ' A' ' 52' ' ' GLU . 27.6 m-85 -109.38 155.32 21.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.472 HG23 ' H ' ' A' ' 66' ' ' GLN . 10.1 t -72.4 -168.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.441 ' N ' ' OG1' ' A' ' 63' ' ' THR . 4.9 mt-10 -82.33 -42.4 18.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -64.95 -22.33 66.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.472 ' H ' HG23 ' A' ' 63' ' ' THR . 71.6 mt-30 -82.54 -65.87 0.96 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -43.63 3.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -43.59 -64.19 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.02 -50.79 69.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.386 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.618 ' HA ' HD12 ' A' ' 73' ' ' ILE . 18.8 mt -40.21 -46.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.2 -44.28 67.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -58.3 -34.99 71.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.946 HD13 ' HG ' ' A' ' 105' ' ' LEU . 94.8 mt -57.26 -53.44 43.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -56.02 -55.12 36.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.545 ' OG1' HD12 ' A' ' 122' ' ' ILE . 2.7 m -38.58 -52.97 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.911 ' SG ' HG11 ' A' ' 119' ' ' VAL . 88.9 m -52.83 -49.76 65.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 108.287 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.646 HD12 ' HB2' ' A' ' 46' ' ' ALA . 18.3 mt -46.59 -57.09 5.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.86 -25.82 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.288 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 77' ' ' LEU . 19.7 mt -81.36 -54.31 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.425 ' CZ ' HD21 ' A' ' 84' ' ' LEU . 32.3 tpt180 -56.01 -65.43 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.61 ' HB3' HG23 ' A' ' 39' ' ' ILE . 72.6 m -41.6 -53.52 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.82 -49.42 77.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.74 -37.84 14.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.425 HD21 ' CZ ' ' A' ' 80' ' ' ARG . 30.2 mt -68.18 -49.56 60.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.414 ' HG3' ' CD1' ' A' ' 39' ' ' ILE . 17.7 mt-30 -62.54 -50.48 71.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.0 t -47.82 113.98 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.3 m -71.67 -69.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -39.4 138.52 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.0 t -39.54 104.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.67 152.72 41.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -160.37 71.02 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.97 -1.26 31.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.9 OUTLIER 177.76 96.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.488 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -54.26 -171.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.359 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.475 ' HG ' ' CD ' ' A' ' 99' ' ' LYS . 18.2 tp -80.57 -59.18 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.488 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 12.5 pt-20 -45.64 -44.4 13.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.487 ' CG ' ' CE1' ' A' ' 117' ' ' PHE . 18.7 m-20 -55.49 -35.01 65.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.719 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -74.67 -51.37 14.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.475 ' CD ' ' HG ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -53.47 -21.21 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 96' ' ' GLU . 11.1 mmtt -69.33 -8.28 44.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.518 HD22 ' HZ ' ' A' ' 115' ' ' PHE . 27.8 mt -98.93 0.41 43.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -73.83 -49.74 5.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -74.99 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.661 HG23 ' CD1' ' A' ' 111' ' ' TYR . 82.2 mt -47.1 -40.74 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.946 ' HG ' HD13 ' A' ' 73' ' ' ILE . 3.9 mt -69.76 -33.74 72.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' PRO . 22.5 mtmt -73.58 -50.78 19.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 111' ' ' TYR . 59.4 m-80 -90.27 31.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -34.11 39.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.98 -44.21 63.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.9 t -115.18 54.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.661 ' CD1' HG23 ' A' ' 104' ' ' ILE . 1.0 OUTLIER -107.91 135.34 49.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 113' ' ' LYS . 1.2 m-20 -76.91 117.1 18.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.451 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -55.01 -169.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' PHE . 0.4 OUTLIER 67.03 62.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.235 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.518 ' HZ ' HD22 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -36.91 148.36 0.19 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.51 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -74.99 -25.23 12.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.487 1.783 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.487 ' CE1' ' CG ' ' A' ' 97' ' ' ASP . 61.5 m-85 -111.52 142.82 43.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.86 90.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.911 HG11 ' SG ' ' A' ' 76' ' ' CYS . 32.7 m -132.76 138.3 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.27 159.1 48.35 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 142.75 28.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.545 HD12 ' OG1' ' A' ' 75' ' ' THR . 0.9 OUTLIER -54.21 145.16 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.515 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -43.47 132.12 4.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -168.03 157.12 29.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 157.4 42.81 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.506 1.793 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.77 123.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.66 110.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.945 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 p -75.83 168.4 20.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 t 62.67 95.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.43 -141.86 7.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -139.77 87.23 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 0.735 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -173.81 133.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.46 -140.08 6.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.1 ttp -102.65 136.89 41.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 111.055 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.18 -175.01 2.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -69.54 -47.62 63.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 110.295 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.1 m -60.5 -39.19 80.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.898 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 31.7 m -61.32 -39.29 89.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.45 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -67.83 -33.42 74.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.2 t -79.04 -23.41 44.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.974 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.697 HD13 ' CH2' ' A' ' 19' ' ' TRP . 1.9 mt -71.43 -57.09 4.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.748 HD22 ' O ' ' A' ' 105' ' ' LEU . 56.9 mt -49.61 -26.19 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -84.9 -70.54 0.57 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -41.36 -33.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.697 ' CH2' HD13 ' A' ' 15' ' ' LEU . 5.9 m0 -68.58 -66.0 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.48 -30.11 8.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -34.27 76.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' TRP . 0.4 OUTLIER -64.88 -61.82 1.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.746 HD11 ' HG ' ' A' ' 98' ' ' LEU . 56.7 tp -51.64 -58.43 6.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -37.87 -47.55 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -65.61 -48.46 72.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -46.94 -28.39 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.0 -37.05 40.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -64.84 -41.0 96.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.585 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 15.7 m-85 -68.02 -56.54 8.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' OD2' ' NH2' ' A' ' 80' ' ' ARG . 10.2 t70 -53.36 -60.5 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -41.47 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.502 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 27.2 m0 -44.68 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 108.051 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.95 43.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -115.37 45.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 34' ' ' GLN . 4.1 mt -36.45 -43.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -54.21 -63.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.585 ' OE1' ' CZ ' ' A' ' 29' ' ' PHE . 6.7 mt-10 -57.57 -36.66 71.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.68 -57.2 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.765 HG13 HD12 ' A' ' 84' ' ' LEU . 43.6 mt -52.12 -67.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.418 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -40.13 -53.0 2.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.604 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 6.1 tm-20 -49.35 -62.29 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.604 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 20.7 m-85 -53.02 -53.44 50.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.534 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 95.5 mt-30 -48.7 -60.45 2.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.418 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 1.2 mp -46.02 -61.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.532 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 21.2 tp -50.64 -40.72 53.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -59.21 -52.07 67.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -50.88 65.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.414 ' CE1' HG23 ' A' ' 44' ' ' ILE . 60.9 m80 -52.56 -54.98 25.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.631 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.619 HD22 HG23 ' A' ' 70' ' ' ILE . 76.6 mt -40.73 -36.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.525 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 32.3 mt-30 -69.16 -52.95 22.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 3.3 tptt -42.0 -28.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 50' ' ' GLN . 57.5 mm-40 -95.86 -35.09 11.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.525 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -68.86 -67.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 3.3 pt20 -52.85 -24.6 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 51' ' ' LYS . . . -92.81 176.57 6.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -177.93 -68.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -85.6 -49.59 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.588 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -42.87 -62.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.97 99.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 168.83 118.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.02 43.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.898 ' CZ ' HG23 ' A' ' 12' ' ' THR . 78.1 m-85 -120.94 150.17 41.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' GLU . 8.8 t -83.41 159.38 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' THR . 3.0 mt-10 -38.57 -58.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -46.21 -54.3 9.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -50.91 -68.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -48.11 -29.22 3.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -62.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.605 HG22 HD11 ' A' ' 108' ' ' ILE . 1.7 m -58.62 -50.58 73.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.619 HG23 HD22 ' A' ' 49' ' ' LEU . 37.5 mt -44.35 -49.23 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.78 -29.92 74.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' THR . 43.2 mttt -72.26 -35.95 68.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.908 HD13 ' HG ' ' A' ' 105' ' ' LEU . 79.4 mt -59.33 -43.91 91.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.495 ' HB3' HD13 ' A' ' 122' ' ' ILE . . . -55.93 -54.86 39.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.556 ' OG1' HD12 ' A' ' 122' ' ' ILE . 1.3 m -37.64 -61.31 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.61 ' SG ' HG21 ' A' ' 119' ' ' VAL . 57.7 m -44.62 -59.33 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 46' ' ' ALA . 5.6 mt -35.48 -62.74 0.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 77' ' ' LEU . 1.4 mm-40 -37.67 -49.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.533 HD13 ' N ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -58.28 -58.26 9.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.465 ' NE ' HD21 ' A' ' 84' ' ' LEU . 15.9 tpt180 -50.39 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.352 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.728 ' HB3' HG23 ' A' ' 39' ' ' ILE . 20.7 m -39.91 -38.76 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.2 -45.31 27.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' ' HG3' ' A' ' 92' ' ' GLU . . . -43.34 -45.66 6.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.765 HD12 HG13 ' A' ' 39' ' ' ILE . 14.2 mt -60.03 -54.33 47.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -57.99 -51.88 67.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -46.65 149.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.7 t -131.21 -46.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -91.27 -48.09 7.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.11 139.94 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -144.77 88.45 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 168.64 42.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.464 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -121.85 -167.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.2 OUTLIER -71.33 156.8 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 -167.65 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.699 HD23 HD23 ' A' ' 98' ' ' LEU . 1.3 mt -82.61 -43.23 17.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.44 -49.86 75.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 84.5 m-20 -61.17 -30.49 70.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.746 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.0 tp -74.64 -58.62 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -20.63 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.52 -9.22 47.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.9 mt -98.16 -9.07 26.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.533 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -62.59 -50.2 79.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.5 Cg_endo -74.94 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 108' ' ' ILE . 12.4 mt -41.82 -61.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.908 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.9 mt -42.97 -38.15 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 103' ' ' PRO . 1.1 mtmt -77.75 -40.3 41.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 104' ' ' ILE . 29.8 m120 -89.59 23.35 2.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.605 HD11 HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -59.89 -39.16 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.61 -52.38 57.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.7 t -88.31 44.79 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.587 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 33.6 t80 -103.59 116.39 32.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 40.0 p30 -92.07 35.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.587 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 6.1 mttt 53.07 -174.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 3.3 tt0 82.03 80.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.566 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.3 OUTLIER -68.84 140.67 91.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.5 Cg_endo -74.93 -0.44 9.94 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 97' ' ' ASP . 77.3 m-85 -138.67 146.68 41.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -76.58 93.83 3.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.61 HG21 ' SG ' ' A' ' 76' ' ' CYS . 33.7 m -146.53 114.39 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -71.88 161.27 79.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.61 37.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.45 1.763 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.556 HD12 ' OG1' ' A' ' 75' ' ' THR . 0.9 OUTLIER -60.3 139.39 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.1 m 63.2 133.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.08 -154.28 1.45 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 171.32 18.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.2 t -131.91 105.03 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.12 83.57 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.57 -58.57 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.17 -59.15 0.99 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.7 170.6 29.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.5 p -154.81 125.71 7.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 110.029 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.19 155.71 23.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.09 -123.86 34.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.949 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.64 -178.96 5.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 0.748 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 p -107.07 135.93 47.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.938 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -45.58 -45.07 13.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.4 m -54.72 -42.19 60.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.475 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 7.6 m -68.38 -48.76 63.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -40.24 71.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -70.11 -27.36 64.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.49 HD13 ' CH2' ' A' ' 19' ' ' TRP . 0.4 OUTLIER -63.32 -47.6 81.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 105' ' ' LEU . 95.2 mt -64.84 -39.86 94.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -49.93 -31.55 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -81.02 -49.71 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.562 ' HB3' HD13 ' A' ' 105' ' ' LEU . 32.9 m0 -65.74 -13.03 58.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' LEU . . . -98.23 -32.19 6.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.87 -14.0 56.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.733 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.72 -55.62 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.73 HD11 ' HG ' ' A' ' 98' ' ' LEU . 56.3 tp -52.45 -59.24 4.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -41.24 -56.19 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' ASP . 6.2 ttt180 -55.59 -53.88 51.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.31 -44.44 2.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.68 73.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.559 ' CG ' ' CZ2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -41.13 -50.47 3.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 37' ' ' GLU . 94.2 m-85 -60.22 -53.71 54.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.436 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -46.43 -64.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.72 -62.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.559 ' CZ2' ' CG ' ' A' ' 28' ' ' ASP . 15.5 m0 -55.51 -75.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.013 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 154.01 43.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -113.64 59.97 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 9.3 mt -47.47 -56.51 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.733 HG13 ' H ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -40.96 -72.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.733 ' H ' HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -48.49 -40.86 28.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.168 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -56.58 -59.46 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.673 HG23 ' HB3' ' A' ' 81' ' ' SER . 7.7 mt -46.14 -68.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -39.58 -57.23 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.531 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 10.9 tm-20 -45.34 -63.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.531 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 15.7 m-85 -51.59 -55.85 16.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -50.12 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -40.25 -49.76 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 tp -64.08 -47.13 81.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -51.7 -47.0 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -49.16 78.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -52.99 -46.1 68.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.58 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.653 HD13 ' HB ' ' A' ' 73' ' ' ILE . 24.0 mt -52.64 -47.35 67.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.51 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 33.4 mt-30 -59.91 -49.23 78.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.29 -28.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 15.5 mm-40 -95.87 -36.01 11.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -69.0 -62.46 1.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLN . 8.1 pt20 -94.35 43.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.84 166.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.47 -55.96 1.7 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 54.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.628 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 42.61 59.9 2.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -137.77 99.64 3.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 p -148.41 172.56 14.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.3 -36.7 63.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.475 ' CZ ' HG23 ' A' ' 12' ' ' THR . 88.3 m-85 -84.58 176.71 8.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.468 HG22 ' OE1' ' A' ' 66' ' ' GLN . 10.2 t -109.34 162.73 14.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -42.55 -42.86 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.254 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.429 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 4.8 mm-40 -55.8 -58.72 6.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.468 ' OE1' HG22 ' A' ' 63' ' ' THR . 1.1 mp0 -61.13 -50.95 71.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 70' ' ' ILE . 3.1 mtpm? -56.61 -35.61 68.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -56.83 -42.56 79.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.86 -43.23 62.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.559 ' HA ' HD12 ' A' ' 73' ' ' ILE . 40.2 mt -42.4 -44.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 74' ' ' ALA . . . -63.62 -57.77 13.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.717 ' HG2' HG23 ' A' ' 119' ' ' VAL . 24.1 mttt -42.69 -40.63 2.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.9 HD13 ' HG ' ' A' ' 105' ' ' LEU . 69.5 mt -57.99 -50.0 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.46 ' HB3' HD13 ' A' ' 122' ' ' ILE . . . -56.03 -54.92 39.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' ALA . 1.2 m -37.31 -61.9 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.596 ' SG ' ' CZ ' ' A' ' 93' ' ' PHE . 74.1 m -44.53 -57.15 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 108.261 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.604 HD12 ' HB2' ' A' ' 46' ' ' ALA . 7.4 mt -38.73 -60.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.23 -48.58 3.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.666 HD13 ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.0 -52.42 65.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -57.98 -62.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.673 ' HB3' HG23 ' A' ' 39' ' ' ILE . 52.3 m -44.65 -47.45 10.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.45 -51.26 61.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.04 -50.34 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.7 mt -54.3 -51.78 63.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -56.06 -52.55 63.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.63 143.01 58.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.52 -64.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.15 -156.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.19 64.37 1.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.008 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.408 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 0.5 OUTLIER -158.25 -55.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 8.0 tt0 80.28 63.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.18 -145.66 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.618 ' CZ ' ' CG ' ' A' ' 97' ' ' ASP . 1.4 t80 -76.86 158.88 30.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.89 -168.45 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.839 HD23 HD23 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -92.76 -41.59 10.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -41.78 80.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.23 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.628 ' OD1' ' CE2' ' A' ' 117' ' ' PHE . 59.7 t0 -69.22 -33.53 73.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.839 HD23 HD23 ' A' ' 95' ' ' LEU . 3.4 tp -69.15 -58.14 4.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -21.75 8.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -8.69 51.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.633 HD23 HD12 ' A' ' 104' ' ' ILE . 44.3 mt -98.31 -5.13 33.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.669 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -63.65 -48.71 79.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.0 -46.37 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.738 HG23 ' CD2' ' A' ' 111' ' ' TYR . 90.7 mt -46.51 -38.83 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.9 ' HG ' HD13 ' A' ' 73' ' ' ILE . 3.9 mt -75.15 -34.28 61.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' PRO . 47.0 mtpt -67.85 -59.05 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 111' ' ' TYR . 83.2 m-20 -88.31 38.53 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.43 HG21 ' CE1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -57.54 -47.1 85.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.419 HD21 HG21 ' A' ' 12' ' ' THR . 1.7 mt -59.16 -47.03 86.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 t -109.34 51.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.433 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.738 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.2 OUTLIER -104.14 132.49 50.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -72.2 119.08 15.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -56.65 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 115' ' ' PHE . 1.2 mm-40 63.93 68.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 0.3 OUTLIER -36.59 144.42 0.27 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 115' ' ' PHE . 18.4 Cg_endo -74.97 -26.05 11.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.628 ' CE2' ' OD1' ' A' ' 97' ' ' ASP . 92.3 m-85 -106.75 151.85 24.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -86.83 88.76 7.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.717 HG23 ' HG2' ' A' ' 72' ' ' LYS . 15.5 m -135.55 122.45 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.47 128.29 91.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 158.5 42.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.46 HD13 ' HB3' ' A' ' 74' ' ' ALA . 1.1 mp -79.58 130.66 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.79 137.27 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -108.25 -138.71 8.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.158 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 139.14 24.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.526 1.803 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.33 -61.33 1.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.72 85.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.037 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -128.39 93.06 3.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -148.8 -59.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.995 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.83 -148.88 6.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.441 1.088 . . . . 0.0 111.053 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -138.44 -58.3 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -127.97 112.17 14.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.13 169.7 35.92 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.411 ' SD ' HD11 ' A' ' 109' ' ' LEU . 5.1 mmt -109.51 -169.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 11' ' ' VAL . 2.3 m -174.44 53.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 66.27 -69.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 12' ' ' THR . 9.8 p -62.79 -50.56 79.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.479 ' N ' HG13 ' A' ' 11' ' ' VAL . 66.2 m -43.31 -63.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.413 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -54.78 -31.4 58.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -25.5 60.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 15' ' ' LEU . 6.9 mt -72.84 -68.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.451 HD22 ' O ' ' A' ' 105' ' ' LEU . 20.9 mt -40.56 -29.02 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 15' ' ' LEU . 1.8 tt0 -80.62 -65.08 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.15 -33.31 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.922 ' HB3' HD13 ' A' ' 105' ' ' LEU . 4.4 m0 -68.11 -66.6 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 108.007 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.03 -30.11 2.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.82 84.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' TRP . 3.9 m -51.4 -63.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.957 HD23 ' HB2' ' A' ' 102' ' ' GLU . 40.7 tp -48.84 -57.28 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -40.86 -50.99 3.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -46.67 75.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.71 -24.96 34.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.34 -42.67 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.743 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . 7.2 m-20 -54.97 -46.32 75.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 9.7 m-85 -60.52 -54.7 42.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.598 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -50.11 -61.11 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -39.13 -67.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.442 ' CZ2' ' HB3' ' A' ' 28' ' ' ASP . 9.9 m0 -47.33 -72.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 107.973 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.18 42.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.103 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 12.9 mm100 -118.15 72.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.47 -51.35 60.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.1 t -51.21 -60.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.57 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.2 mt-10 -56.74 -41.33 77.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -55.05 -58.97 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.775 HG23 ' HB3' ' A' ' 81' ' ' SER . 12.3 mt -43.82 -59.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.465 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.3 t70 -40.52 -51.32 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -52.27 -67.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.553 ' HE2' HD11 ' A' ' 84' ' ' LEU . 22.9 m-85 -45.86 -61.81 1.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.444 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 40.0 mt-30 -44.34 -62.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.644 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.1 mp -45.35 -50.08 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.517 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 48.2 tp -61.8 -38.47 88.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -60.55 -49.2 78.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -48.93 79.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.644 ' CE1' HG23 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -53.22 -55.15 26.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.563 HD13 ' HB ' ' A' ' 73' ' ' ILE . 70.7 mt -41.77 -38.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.557 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 12.0 mt-30 -62.67 -55.25 28.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -41.69 -28.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.542 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 66.3 mm-40 -96.64 -35.08 11.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.557 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -66.16 -40.25 90.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.547 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -110.75 -63.4 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.724 ' HB1' ' OD1' ' A' ' 58' ' ' ASN . . . 74.58 -61.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.4 OUTLIER 80.51 -62.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.21 80.29 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.587 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.724 ' OD1' ' HB1' ' A' ' 55' ' ' ALA . 15.6 p-10 -159.02 -46.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -171.0 177.58 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.9 t 170.39 69.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -91.97 23.3 3.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.419 ' HB3' ' CB ' ' A' ' 66' ' ' GLN . 88.9 m-85 -129.28 170.28 13.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' GLU . 9.0 t -101.06 163.09 12.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -38.88 -58.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -45.41 -61.11 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.495 ' HG2' HG23 ' A' ' 108' ' ' ILE . 3.7 mt-30 -43.61 -49.73 7.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -59.45 -48.22 82.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -47.19 -60.55 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.578 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.1 m -60.19 -56.02 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.491 HG23 HD22 ' A' ' 49' ' ' LEU . 35.1 mt -40.59 -50.71 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.518 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -67.65 -48.25 57.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HB3' HG23 ' A' ' 119' ' ' VAL . 60.9 mttt -49.92 -42.6 48.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.734 HD13 ' HG ' ' A' ' 105' ' ' LEU . 92.7 mt -52.99 -51.16 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB3' ' CD1' ' A' ' 122' ' ' ILE . . . -54.56 -53.13 58.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 m -43.04 -45.57 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.754 ' SG ' HG11 ' A' ' 119' ' ' VAL . 61.2 m -61.98 -48.68 79.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.521 HD12 ' CA ' ' A' ' 46' ' ' ALA . 18.5 mt -45.22 -57.61 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -43.8 -26.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 77' ' ' LEU . 24.5 mt -79.19 -52.95 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.712 ' NE ' HD21 ' A' ' 84' ' ' LEU . 25.3 tpt180 -56.2 -65.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.775 ' HB3' HG23 ' A' ' 39' ' ' ILE . 61.6 m -39.37 -51.59 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.67 -43.2 94.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -49.91 -35.71 24.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.721 HD12 HG13 ' A' ' 39' ' ' ILE . 14.1 mt -69.79 -52.12 27.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -51.1 -44.04 61.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.148 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.4 OUTLIER -53.23 156.74 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' SER . 20.5 m -60.71 84.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 86' ' ' SER . 1.0 OUTLIER 68.62 -69.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' THR . 0.1 OUTLIER -172.11 160.53 5.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.08 -52.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 169.57 60.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.434 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -138.33 -172.69 3.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.2 OUTLIER -50.18 142.38 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 110.97 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.94 -169.42 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.916 HD23 HD23 ' A' ' 98' ' ' LEU . 0.6 OUTLIER -79.51 -51.75 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.36 -40.43 68.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 69.9 m-20 -66.41 -30.12 70.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.916 HD23 HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -79.24 -43.09 24.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.638 ' CD ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -59.13 -15.38 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -74.42 -2.74 26.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.563 HD13 HG23 ' A' ' 73' ' ' ILE . 29.4 mt -100.69 -1.84 34.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.957 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -77.78 -46.31 2.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.308 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.02 -29.39 8.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.1 mt -64.66 -54.0 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.922 HD13 ' HB3' ' A' ' 19' ' ' TRP . 9.5 mt -56.48 -35.66 68.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.05 -43.04 55.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 103' ' ' PRO . 89.0 m-20 -91.11 25.41 2.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.495 HG23 ' HG2' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -58.04 -50.16 79.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.411 HD11 ' SD ' ' A' ' 8' ' ' MET . 16.9 mt -58.44 -49.97 75.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.0 t -89.05 35.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 110.378 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 72.4 t80 -93.07 120.18 33.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -107.18 47.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.6 OUTLIER 49.89 -171.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 2.9 tt0 83.07 87.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.434 ' HZ ' HD22 ' A' ' 101' ' ' LEU . 0.8 OUTLIER -91.56 144.06 29.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.077 . . . . 0.0 110.956 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -1.49 11.31 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 97' ' ' ASP . 82.3 m-85 -136.4 146.21 46.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.61 80.15 8.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.754 HG11 ' SG ' ' A' ' 76' ' ' CYS . 7.9 m -121.97 136.83 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.52 153.08 61.46 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 138.46 23.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 71' ' ' GLY . 1.8 mt -74.8 125.68 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.43 90.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.88 -174.05 33.17 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 146.61 32.9 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 84.8 p -43.91 111.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.19 120.19 21.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -126.57 146.7 50.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 110.034 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 t 59.06 168.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.49 66.58 0.52 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 m -45.19 116.11 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.405 ' HA ' ' OE1' ' A' ' 61' ' ' GLU . 49.6 m 59.22 114.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.8 -144.08 4.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.44 ' HG2' ' N ' ' A' ' 9' ' ' SER . 5.7 ttm -59.05 140.28 55.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 0.763 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' VAL . 1.4 m -160.4 54.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 9' ' ' SER . 12.7 tt0 67.64 -61.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 12' ' ' THR . 14.6 p -62.01 -54.51 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 1.095 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 6.9 m -53.75 -28.65 35.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -67.04 -68.88 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 1.3 m -38.43 -41.89 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.59 HD13 ' CH2' ' A' ' 19' ' ' TRP . 2.0 mt -48.25 -58.32 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 16' ' ' LEU . 6.9 mt -44.12 -26.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.448 ' N ' ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -83.1 -74.21 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.586 ' HG3' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.2 -45.92 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.339 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.601 ' CE3' HD22 ' A' ' 105' ' ' LEU . 5.5 m0 -55.49 -63.02 1.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 108.003 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.0 -27.12 59.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 17' ' ' GLN . . . -71.53 -37.07 71.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 m -57.43 -65.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.941 HD23 ' HB2' ' A' ' 102' ' ' GLU . 15.6 tp -44.42 -57.0 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.15 -65.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -50.37 -36.66 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.33 96.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.6 97.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 0.797 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.12 -43.56 7.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' GLY . 25.4 m-85 -64.8 -63.24 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.798 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -39.87 -61.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.254 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.56 -59.53 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.9 m0 -59.89 -75.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.035 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 156.6 43.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -112.53 67.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.58 ' N ' HD23 ' A' ' 35' ' ' LEU . 2.2 mt -54.36 -51.44 64.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -44.59 -69.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -44.84 61.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -49.88 -57.72 6.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.568 HG13 HD12 ' A' ' 84' ' ' LEU . 9.3 mt -50.58 -61.85 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -41.8 -59.51 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 13.4 tm-20 -47.11 -68.82 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.598 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 18.9 m-85 -42.71 -58.44 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.572 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 63.3 mt-30 -48.49 -59.12 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.434 HG23 ' NE2' ' A' ' 48' ' ' HIS . 1.2 mp -45.42 -56.53 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 63.0 tp -56.31 -35.99 68.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.581 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -61.99 -49.26 76.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -49.19 78.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' NE2' HG23 ' A' ' 44' ' ' ILE . 12.5 m170 -52.09 -39.22 59.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.576 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.664 ' CD2' HG23 ' A' ' 70' ' ' ILE . 53.9 mt -60.13 -58.23 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.572 ' CD ' HG21 ' A' ' 122' ' ' ILE . 41.3 mt-30 -47.85 -48.87 30.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -28.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.6 ' OE1' ' CD1' ' A' ' 62' ' ' PHE . 3.6 mt-10 -95.95 -38.39 10.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -64.3 -45.1 89.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -91.8 49.42 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -137.85 87.11 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -45.44 -64.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -173.04 109.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.614 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -170.32 -63.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -106.34 -53.43 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -50.94 138.91 18.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' ' 6' ' ' SER . 1.4 mm-40 -122.05 36.03 4.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 1.095 ' CZ ' HG23 ' A' ' 12' ' ' THR . 67.3 m-85 -114.94 174.46 5.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.478 HG22 ' CD ' ' A' ' 66' ' ' GLN . 8.9 t -109.1 159.66 16.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.361 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLU . 3.1 mm-40 -41.59 -60.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' GLU . 26.7 mt-10 -38.89 -39.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.478 ' CD ' HG22 ' A' ' 63' ' ' THR . 52.9 mt-30 -82.17 -60.34 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -45.15 -50.45 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' CE ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -49.73 -37.93 31.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.599 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.7 m -77.64 -52.98 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.664 HG23 ' CD2' ' A' ' 49' ' ' LEU . 96.8 mt -39.23 -43.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' LYS . . . -65.96 -63.96 3.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.551 1.157 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' GLY . 16.2 mttm -39.81 -46.37 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.658 HD13 ' HG ' ' A' ' 105' ' ' LEU . 32.8 mt -49.12 -53.62 7.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.492 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -57.05 -52.04 66.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.488 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 2.1 m -44.09 -42.25 6.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.444 ' HB2' HD11 ' A' ' 101' ' ' LEU . 32.8 m -63.23 -49.44 74.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 108.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.581 HD12 ' CA ' ' A' ' 46' ' ' ALA . 17.3 mt -44.25 -59.78 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -41.19 -33.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.93 -52.75 15.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 15.1 tpt180 -54.63 -64.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.447 ' HB3' HG23 ' A' ' 39' ' ' ILE . 66.1 m -46.01 -57.03 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 83' ' ' ALA . . . -53.52 -52.21 60.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -40.57 -40.4 1.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.568 HD12 HG13 ' A' ' 39' ' ' ILE . 8.2 mt -66.09 -54.11 29.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -58.8 -47.72 83.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.98 154.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.948 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 m -139.54 -65.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -39.24 -52.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.3 m -87.99 168.63 12.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -167.28 51.66 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -145.88 27.48 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -84.97 -146.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.86 145.61 40.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.411 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -105.94 -169.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.798 HD11 ' HB3' ' A' ' 30' ' ' ASP . 3.4 mt -76.23 -57.04 4.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -48.62 -56.04 9.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -54.95 -19.37 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.771 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -92.2 -41.19 10.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.706 ' HA ' HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -64.37 -10.59 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -78.7 1.46 22.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.61 HD13 HG23 ' A' ' 73' ' ' ILE . 79.4 mt -102.02 -9.77 20.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.941 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -71.73 -45.47 12.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.0 -36.62 2.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.528 HD12 HD23 ' A' ' 101' ' ' LEU . 69.5 mt -60.63 -45.06 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.658 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.1 mt -64.98 -33.03 75.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -41.77 46.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 111' ' ' TYR . 35.6 m120 -89.62 21.92 3.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.0 -39.91 51.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.73 -43.49 75.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.2 t -107.9 45.12 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.599 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 49.9 t80 -92.78 -36.65 12.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.526 ' O ' ' CG ' ' A' ' 113' ' ' LYS . 0.5 OUTLIER 63.21 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 112' ' ' ASN . 10.7 mttt -175.95 -172.86 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER 78.81 97.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.522 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.7 OUTLIER -92.01 148.01 36.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.53 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.3 Cg_endo -74.94 -3.41 13.88 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.53 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 32.6 m-85 -140.64 169.77 17.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -114.7 91.53 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.2 m -134.77 130.1 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.47 144.7 95.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.256 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 150.06 37.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.572 HG21 ' CD ' ' A' ' 50' ' ' GLN . 2.8 mt -84.87 132.16 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 31.5 t 66.85 140.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 126.1 -151.82 17.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 72.96 4.46 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.9 t -141.88 149.2 39.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.9 t -142.44 120.78 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.936 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p 40.83 84.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -108.66 111.64 23.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 110.021 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.71 -110.72 0.71 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.08 146.33 49.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -160.51 126.66 4.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.045 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.81 142.12 47.39 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.479 ' HB2' HD11 ' A' ' 109' ' ' LEU . 0.1 OUTLIER 60.47 113.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.743 . . . . 0.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -152.16 74.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 9' ' ' SER . 20.4 tt0 66.41 -66.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' SER . 47.9 t -59.06 -76.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' LEU . 11.2 m -38.9 -44.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.91 -51.1 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.47 -23.57 63.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 19' ' ' TRP . 1.5 tm? -66.66 -59.03 3.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.481 HD22 ' O ' ' A' ' 105' ' ' LEU . 56.8 mt -46.49 -25.2 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' N ' ' C ' ' A' ' 15' ' ' LEU . 5.8 mm-40 -78.81 -70.78 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -43.6 -28.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.503 ' CZ3' HG12 ' A' ' 70' ' ' ILE . 1.4 m0 -68.92 -67.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 107.992 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.86 -36.86 42.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.32 -49.99 68.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.5 m -50.6 -63.8 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.807 HD11 ' HG ' ' A' ' 98' ' ' LEU . 38.2 tp -48.68 -56.14 9.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -50.78 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.405 ' HA ' ' OD2' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -65.2 -48.37 73.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.339 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -46.87 -27.08 3.14 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.64 -39.45 20.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.405 ' OD2' ' HA ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -58.5 -36.86 74.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.589 ' CE1' ' CD ' ' A' ' 37' ' ' GLU . 59.6 m-85 -70.21 -54.66 11.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -50.3 -57.97 6.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.1 t -44.04 -72.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -42.94 -75.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 107.995 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.49 39.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.471 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 4.5 mm-40 -114.66 103.85 11.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.669 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -89.88 -50.33 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.579 HG23 ' N ' ' A' ' 37' ' ' GLU . 26.8 m -48.22 -56.22 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.589 ' CD ' ' CE1' ' A' ' 29' ' ' PHE . 6.5 mt-10 -61.28 -43.72 98.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.608 ' O ' ' CD2' ' A' ' 42' ' ' TYR . . . -54.28 -51.1 65.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.825 HG13 HD12 ' A' ' 84' ' ' LEU . 7.4 mt -66.31 -42.47 90.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -55.73 -56.7 17.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -53.42 -69.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.713 ' CE1' HD21 ' A' ' 98' ' ' LEU . 21.4 m-85 -39.97 -61.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.52 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 55.2 mt-30 -46.14 -65.69 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.2 mp -42.14 -57.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.4 tp -54.5 -39.47 67.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -61.11 -46.82 89.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -61.93 -33.48 74.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 15.1 m170 -69.93 -49.42 52.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.651 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.505 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 38.3 mt -41.81 -43.77 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.719 ' CD ' HG21 ' A' ' 122' ' ' ILE . 38.6 mt-30 -65.21 -48.51 73.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -28.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.494 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 14.7 mm-40 -95.85 -33.31 12.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -74.51 -65.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLN . 5.6 pt20 -65.32 -32.94 74.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 52.19 63.1 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -44.18 -64.86 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -134.98 58.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.2 96.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.94 92.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 t -42.98 165.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.989 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.74 36.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.403 ' HA ' ' OE1' ' A' ' 66' ' ' GLN . 9.3 m-85 -111.78 136.49 50.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.492 HG23 ' CG ' ' A' ' 65' ' ' GLU . 13.4 t -72.31 163.59 27.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -55.48 5.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.521 ' CB ' ' HE3' ' A' ' 113' ' ' LYS . 2.1 pt-20 -57.61 -25.91 60.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 60.7 mt-30 -81.96 -66.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 63' ' ' THR . 11.7 ptmt -48.03 -27.05 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -60.44 -68.85 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.551 HG22 HD11 ' A' ' 73' ' ' ILE . 18.5 m -42.28 -56.47 2.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' A' ' 73' ' ' ILE . 13.7 mt -40.84 -50.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.543 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -63.76 -37.99 95.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.54 ' HB3' HG23 ' A' ' 119' ' ' VAL . 56.2 mttt -68.76 -42.79 77.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.764 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.974 HD13 ' HG ' ' A' ' 105' ' ' LEU . 70.4 mt -51.76 -54.86 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -47.03 -60.23 2.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' ALA . 2.0 m -37.6 -54.0 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.851 ' SG ' HG11 ' A' ' 119' ' ' VAL . 58.0 m -51.48 -51.47 54.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.258 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.447 HD12 ' CA ' ' A' ' 46' ' ' ALA . 14.4 mt -46.16 -59.12 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -41.64 -31.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' A' ' 93' ' ' PHE . 12.3 mt -73.24 -48.81 31.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.561 ' NH2' HD13 ' A' ' 95' ' ' LEU . 27.4 tpt180 -61.68 -65.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.74 ' HB3' HG23 ' A' ' 39' ' ' ILE . 72.4 m -38.64 -56.29 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.413 1.071 . . . . 0.0 109.99 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.2 -53.67 55.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.44 ' O ' ' NE2' ' A' ' 90' ' ' GLN . . . -41.73 -38.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.825 HD12 HG13 ' A' ' 39' ' ' ILE . 13.2 mt -66.87 -53.85 28.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -54.22 -57.42 11.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.57 166.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.4 m -139.6 -82.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.73 126.13 11.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 m 39.3 86.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.018 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -127.05 132.9 50.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 177.46 67.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.81 -10.38 16.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 1.1 t80 176.95 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.488 ' CD ' ' HG2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -56.03 -170.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.561 HD13 ' NH2' ' A' ' 80' ' ' ARG . 35.4 tp -82.28 -57.76 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.488 ' HG2' ' CD ' ' A' ' 94' ' ' LYS . 6.5 pt-20 -46.26 -42.7 14.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -59.32 -32.41 70.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.807 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -75.86 -46.57 29.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -11.56 55.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.46 ' HE2' ' CZ ' ' A' ' 117' ' ' PHE . 24.1 mtpt -72.32 -7.52 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.592 HD13 HG23 ' A' ' 73' ' ' ILE . 33.6 mt -100.83 -13.14 18.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.538 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -54.31 -49.22 91.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.5 Cg_endo -75.01 -49.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.799 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.742 HG23 ' CD1' ' A' ' 111' ' ' TYR . 53.5 mt -43.39 -52.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.974 ' HG ' HD13 ' A' ' 73' ' ' ILE . 7.1 mt -60.12 -36.33 77.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -69.57 -51.78 32.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.485 ' OD1' ' CG2' ' A' ' 110' ' ' THR . 9.4 m-80 -87.68 34.64 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.433 HG13 HD23 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.69 -20.96 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 8' ' ' MET . 14.7 mt -88.41 -30.0 19.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.485 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 7.3 t -117.78 39.82 3.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.425 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.742 ' CD1' HG23 ' A' ' 104' ' ' ILE . 24.5 t80 -100.44 -20.1 15.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.498 ' O ' ' CG ' ' A' ' 113' ' ' LYS . 11.1 m-80 58.62 -91.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.521 ' HE3' ' CB ' ' A' ' 65' ' ' GLU . 12.1 mttt -175.98 -168.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 3.0 tt0 81.96 66.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 1.3 t80 -62.02 140.58 95.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.0 -47.21 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.46 ' CZ ' ' HE2' ' A' ' 100' ' ' LYS . 53.7 m-85 -86.08 140.63 30.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.44 79.97 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.851 HG11 ' SG ' ' A' ' 76' ' ' CYS . 5.2 m -130.15 121.03 50.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.14 158.02 82.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 137.69 22.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.719 HG21 ' CD ' ' A' ' 50' ' ' GLN . 3.1 mt -83.42 128.12 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.4 120.46 24.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.045 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -79.12 -158.75 13.77 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 106.75 2.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.0 m -86.55 132.57 33.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.1 m -61.16 133.6 56.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.123 . . . . 0.0 111.008 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.58 138.74 39.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.004 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.82 -56.76 0.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.4 74.92 1.29 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.48 136.53 54.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 m -136.02 161.09 36.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.071 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.93 -73.38 0.26 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 60.66 129.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.4 m -151.0 -88.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.59 -18.2 11.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 12' ' ' THR . 3.4 m -79.97 -50.04 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.691 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 54.7 m -77.54 -42.87 33.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -51.87 -55.65 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.74 -37.89 53.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.878 HD13 ' CH2' ' A' ' 19' ' ' TRP . 0.6 OUTLIER -52.23 -46.09 65.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.19 -20.86 4.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -88.45 -72.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.804 ' HG3' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.93 -44.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.878 ' CH2' HD13 ' A' ' 15' ' ' LEU . 6.5 m0 -55.7 -64.6 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.002 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.16 -35.69 60.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.78 88.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -56.92 15.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.911 HD11 ' HG ' ' A' ' 98' ' ' LEU . 59.1 tp -52.38 -58.18 7.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -54.2 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -60.76 -55.11 37.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' HA3' ' CE1' ' A' ' 42' ' ' TYR . . . -42.93 -32.42 1.44 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.62 -50.31 12.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.6 -37.01 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 21.1 m-85 -72.73 -51.41 19.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.74 -56.96 10.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.43 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -49.6 -69.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 107.971 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.97 46.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -115.23 68.98 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.767 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.9 mt -57.74 -58.3 8.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.791 HG13 ' H ' ' A' ' 37' ' ' GLU . 2.3 p -43.46 -68.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.791 ' H ' HG13 ' A' ' 36' ' ' VAL . 1.8 mt-10 -51.98 -44.05 63.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.96 -63.18 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 35' ' ' LEU . 4.0 mt -40.78 -59.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.484 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.8 OUTLIER -41.06 -58.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -50.25 -68.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.475 ' O ' HD13 ' A' ' 77' ' ' LEU . 21.3 m-85 -43.28 -60.54 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.564 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 77.8 mt-30 -49.4 -62.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.2 mp -42.41 -54.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -54.04 -39.84 66.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -58.09 -49.32 77.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -47.04 82.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -54.89 -51.45 65.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.564 HD13 ' HB ' ' A' ' 73' ' ' ILE . 90.9 mt -43.53 -46.26 6.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.625 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 30.5 mt-30 -58.98 -47.61 84.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -40.58 -31.74 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 17.9 mm-40 -96.0 -35.99 11.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.625 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -68.4 -62.26 1.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLN . 4.8 pt20 -69.25 -34.51 74.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' GLN . . . 39.53 60.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -70.99 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -75.59 -53.32 8.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.594 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -86.3 166.15 15.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -119.43 94.53 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.1 t -41.66 134.08 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.999 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -91.21 20.32 5.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.691 ' CZ ' HG23 ' A' ' 12' ' ' THR . 58.2 m-85 -102.1 172.38 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.3 t -92.74 159.87 15.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -38.94 -59.97 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -44.47 -62.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.42 ' CG ' HG23 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -45.55 -57.95 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HA ' HD12 ' A' ' 70' ' ' ILE . 54.0 mtpt -46.72 -52.56 13.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -60.93 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.34 -49.84 68.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 67' ' ' LYS . 36.6 mt -42.51 -52.14 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.468 ' CA ' HG12 ' A' ' 122' ' ' ILE . . . -63.11 -57.33 16.01 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 71' ' ' GLY . 26.4 mttt -39.96 -53.14 2.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.72 HD13 ' HG ' ' A' ' 105' ' ' LEU . 99.6 mt -43.69 -49.66 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -53.74 -58.3 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 m -41.14 -47.96 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.837 ' SG ' HG11 ' A' ' 119' ' ' VAL . 89.3 m -57.11 -46.15 82.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 108.32 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 46' ' ' ALA . 17.5 mt -51.7 -57.04 10.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.66 -29.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.4 mt -77.15 -57.47 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 15.6 tpt180 -47.6 -67.16 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.447 ' HB3' HG23 ' A' ' 39' ' ' ILE . 38.7 m -41.57 -63.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.152 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.85 -53.1 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -42.61 -40.49 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' A' ' 80' ' ' ARG . 25.5 mt -64.23 -54.27 36.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -56.03 -45.94 79.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.39 163.93 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -158.01 -65.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -39.32 -52.46 2.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.73 103.07 9.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.068 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' A' ' 90' ' ' GLN . 1.9 pt20 -105.61 108.2 19.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -168.45 37.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -109.46 -171.64 1.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -43.55 142.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.463 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.1 OUTLIER -105.95 -170.38 1.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 95' ' ' LEU . 6.9 tp -77.51 -57.02 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.463 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 10.7 pt-20 -49.27 -36.33 20.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.434 ' CG ' ' CE1' ' A' ' 117' ' ' PHE . 50.6 m-20 -71.39 -31.34 67.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.911 ' HG ' HD11 ' A' ' 23' ' ' LEU . 2.9 tp -76.16 -52.22 10.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -54.54 -20.34 7.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -9.51 48.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.512 HD23 HD12 ' A' ' 104' ' ' ILE . 19.3 mt -96.55 -4.61 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.531 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -69.93 -49.61 19.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.03 -29.13 8.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.512 HD12 HD23 ' A' ' 101' ' ' LEU . 79.6 mt -63.69 -47.81 89.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.72 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.1 mt -68.83 -31.75 70.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.17 -53.04 11.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.494 ' OD1' ' CG2' ' A' ' 110' ' ' THR . 54.8 m-80 -90.65 20.41 4.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.42 HG23 ' CG ' ' A' ' 66' ' ' GLN . 0.1 OUTLIER -39.58 -38.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.96 -53.9 9.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.494 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 9.8 t -97.0 47.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.473 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.2 OUTLIER -110.45 136.16 50.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.73 128.58 33.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.417 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -60.3 -169.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 66.02 68.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.254 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.542 ' CD2' ' HD2' ' A' ' 116' ' ' PRO . 0.3 OUTLIER -38.22 147.65 0.25 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.542 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.4 Cg_endo -75.01 -14.99 20.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.434 ' CE1' ' CG ' ' A' ' 97' ' ' ASP . 77.0 m-85 -123.21 154.91 38.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.79 91.43 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.837 HG11 ' SG ' ' A' ' 76' ' ' CYS . 18.2 m -143.71 112.71 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.02 156.92 88.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 145.4 31.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.6 HG21 ' CD ' ' A' ' 50' ' ' GLN . 11.1 mm -54.25 -97.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.54 ' N ' HG22 ' A' ' 122' ' ' ILE . 6.2 t -38.62 150.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -99.68 -144.06 15.62 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.478 1.112 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 113.98 3.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.46 171.24 10.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.027 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.9 t -159.74 130.47 5.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.77 148.6 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.971 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.17 -61.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.56 -93.18 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.533 1.146 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -139.51 109.02 6.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 110.042 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -153.47 139.23 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.94 119.46 2.99 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 ttm 63.78 134.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.798 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -164.44 69.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.004 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 13' ' ' ARG . 16.2 tt0 64.44 -76.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 9' ' ' SER . 61.6 t -40.39 -51.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.81 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 1.8 m -69.12 -36.25 77.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.441 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -62.34 -31.22 71.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.2 -24.39 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.639 HD13 ' CH2' ' A' ' 19' ' ' TRP . 5.2 mt -68.64 -65.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 105' ' ' LEU . 59.7 mt -41.91 -28.14 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 15' ' ' LEU . 1.5 tt0 -87.17 -68.16 0.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.99 -33.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.172 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.639 ' CH2' HD13 ' A' ' 15' ' ' LEU . 7.6 m0 -68.02 -65.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.002 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.29 -25.38 18.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.566 1.166 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.12 -18.54 62.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.93 -56.25 3.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.814 HD11 ' HG ' ' A' ' 98' ' ' LEU . 28.1 tp -50.37 -59.36 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.62 -63.98 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -48.71 -30.96 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.49 -33.78 85.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.556 1.16 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.469 ' HB1' ' HZ3' ' A' ' 99' ' ' LYS . . . -70.38 -40.93 73.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.475 ' O ' ' CG ' ' A' ' 32' ' ' TRP . 3.2 m-20 -47.36 -40.81 18.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.599 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 18.5 m-85 -72.98 -55.3 6.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -46.95 -47.45 21.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.43 -70.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.475 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 16.5 m0 -47.1 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 108.042 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.0 42.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.511 ' CB ' ' HB3' ' A' ' 29' ' ' PHE . 2.0 mt-30 -111.95 48.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.334 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.597 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 4.3 mt -42.13 -54.17 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.75 HG13 ' H ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -40.46 -72.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.75 ' H ' HG13 ' A' ' 36' ' ' VAL . 2.9 mt-10 -48.06 -43.15 30.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -49.56 -56.81 8.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.831 HG13 HD12 ' A' ' 84' ' ' LEU . 55.3 mt -50.59 -54.63 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.64 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -49.46 -55.15 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.552 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 3.6 tm-20 -51.03 -69.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 110.317 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.552 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 22.1 m-85 -42.65 -65.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.613 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 73.3 mt-30 -42.97 -60.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.64 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.3 mp -43.43 -62.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.543 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 62.5 tp -51.19 -38.48 52.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -59.83 -55.06 38.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -27.17 67.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' HG23 ' A' ' 44' ' ' ILE . 1.3 m80 -75.17 -37.52 61.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.566 HD21 HD21 ' A' ' 105' ' ' LEU . 19.4 mt -57.6 -51.15 70.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.617 ' CD ' HG21 ' A' ' 122' ' ' ILE . 43.1 mt-30 -53.05 -43.53 66.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -38.2 -32.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' HB2' HG21 ' A' ' 70' ' ' ILE . 6.7 mt-10 -95.28 -40.61 9.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.586 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -60.03 -28.46 67.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 3.9 pt20 -118.91 32.83 5.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.353 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.417 ' HB1' ' H ' ' A' ' 59' ' ' ASN . . . -43.81 117.3 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -47.3 122.1 4.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 41.34 43.28 2.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.604 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 t30 44.92 87.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.417 ' H ' ' HB1' ' A' ' 55' ' ' ALA . 5.2 t-20 -129.19 65.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.04 173.62 16.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -105.46 25.1 11.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.81 ' CZ ' HG23 ' A' ' 12' ' ' THR . 75.8 m-85 -108.04 148.7 29.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -93.51 155.95 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -45.29 -55.43 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -48.97 -34.0 12.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 109' ' ' LEU . 37.9 mt-30 -79.91 -49.12 12.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.6 OUTLIER -59.45 -54.99 40.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -31.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.49 -41.11 20.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.519 HG23 ' CD2' ' A' ' 49' ' ' LEU . 44.9 mt -51.22 -44.58 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.79 -51.54 45.68 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.81 -54.55 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.78 HD13 ' HG ' ' A' ' 105' ' ' LEU . 96.6 mt -43.11 -51.33 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -54.64 -54.79 36.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' ALA . 31.4 m -37.85 -52.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.821 ' HA ' HD22 ' A' ' 79' ' ' LEU . 83.6 m -53.43 -54.09 41.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.567 HD12 ' HB2' ' A' ' 46' ' ' ALA . 10.0 mt -39.97 -62.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -40.76 -44.69 2.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.821 HD22 ' HA ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -63.64 -48.17 78.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.607 ' NE ' HD21 ' A' ' 84' ' ' LEU . 17.4 tpt180 -61.8 -59.1 5.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.525 ' HB3' HG23 ' A' ' 39' ' ' ILE . 58.7 m -43.98 -50.19 8.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.39 -48.1 76.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -42.24 -45.63 4.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.831 HD12 HG13 ' A' ' 39' ' ' ILE . 10.3 mt -59.7 -53.66 55.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -58.15 -37.01 73.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.45 129.48 39.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.0 t -128.63 154.43 46.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 71.28 -59.34 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.6 t -105.56 85.36 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -115.2 124.51 51.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -153.78 25.72 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -94.62 -144.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.252 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.601 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.4 OUTLIER -72.94 148.76 43.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.469 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -106.13 -170.03 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 95' ' ' LEU . 9.0 tp -78.76 -55.25 5.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 9.7 pt-20 -48.6 -50.8 31.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 96.6 m-20 -60.36 -31.37 70.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.814 ' HG ' HD11 ' A' ' 23' ' ' LEU . 2.0 tp -73.51 -58.26 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.469 ' HZ3' ' HB1' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -57.75 -17.25 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -11.06 49.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.556 HD23 HD12 ' A' ' 104' ' ' ILE . 32.7 mt -98.61 -5.94 30.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.566 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -61.42 -47.67 92.94 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.1 Cg_endo -75.04 -46.04 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.556 HD12 HD23 ' A' ' 101' ' ' LEU . 43.9 mt -45.73 -51.93 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.78 ' HG ' HD13 ' A' ' 73' ' ' ILE . 0.9 OUTLIER -60.11 -30.38 69.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 103' ' ' PRO . 3.5 mmmt -76.28 -48.0 21.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.637 ' HB3' HG23 ' A' ' 110' ' ' THR . 60.7 m-20 -90.98 23.98 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.44 -39.16 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.424 ' HA ' ' NE2' ' A' ' 66' ' ' GLN . 25.2 mt -71.26 -48.96 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.637 HG23 ' HB3' ' A' ' 107' ' ' ASN . 7.7 t -91.92 36.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.454 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 64.4 t80 -92.85 134.95 34.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' A' ' 113' ' ' LYS . 22.3 m-80 -82.91 -89.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.564 ' CG ' ' O ' ' A' ' 112' ' ' ASN . 0.0 OUTLIER 174.25 -167.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 2.2 tt0 85.8 -46.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 1.0 OUTLIER 66.42 148.77 0.11 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.05 0.78 8.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 97' ' ' ASP . 97.4 m-85 -148.19 171.8 15.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -129.04 88.46 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 120' ' ' GLN . 27.2 m -131.38 123.83 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 119' ' ' VAL . 3.0 mt-30 -38.38 121.14 1.09 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.6 11.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.779 HG22 ' N ' ' A' ' 123' ' ' SER . 2.9 mt -50.83 -97.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.779 ' N ' HG22 ' A' ' 122' ' ' ILE . 0.3 OUTLIER 72.7 -58.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -85.15 -169.64 46.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.5 20.43 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.798 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.44 107.87 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.7 m -72.99 97.49 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -162.02 158.5 25.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.982 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -96.77 111.08 23.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.63 137.95 2.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -164.29 130.04 2.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 0.794 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.3 156.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.93 -107.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.487 ' HE3' HD13 ' A' ' 109' ' ' LEU . 2.8 tmm? -66.01 139.24 58.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 0.791 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -150.45 -99.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 10' ' ' GLU . 12.4 tt0 -122.75 -3.73 8.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.54 -30.91 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.606 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 4.8 m -85.39 -40.52 16.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -30.28 65.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 t -83.83 -23.1 31.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.981 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -71.4 -33.59 69.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 105' ' ' LEU . 20.8 mt -78.76 -43.94 24.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -60.05 -32.49 70.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -78.6 -44.6 23.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.563 ' HB3' HD22 ' A' ' 105' ' ' LEU . 6.2 m0 -60.59 -31.89 71.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 108.048 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.09 -18.76 64.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 -22.8 56.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.419 ' HB2' HD22 ' A' ' 45' ' ' LEU . 6.0 m -78.69 -65.37 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.85 HD11 ' HG ' ' A' ' 98' ' ' LEU . 50.0 tp -43.82 -56.58 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.68 -50.82 17.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.7 ttt180 -64.21 -52.01 60.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.48 -26.36 1.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.88 -38.58 19.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -56.97 -44.9 83.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.569 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 54.8 m-85 -66.62 -51.56 54.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.69 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -53.28 -57.42 10.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.56 -67.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.502 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 20.8 m0 -43.76 -72.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 107.978 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.04 43.36 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.555 1.16 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -118.9 72.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.454 ' N ' HD23 ' A' ' 35' ' ' LEU . 4.6 mt -61.79 -54.01 48.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.8 t -48.0 -60.23 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.569 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -56.22 -42.99 78.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.72 -64.09 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.883 HG13 HD12 ' A' ' 84' ' ' LEU . 6.6 mt -41.27 -59.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.647 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -46.55 -49.37 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -53.78 -66.02 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.498 ' CE2' ' HG2' ' A' ' 80' ' ' ARG . 20.2 m-85 -49.51 -64.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.673 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 63.0 mt-30 -39.46 -62.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.687 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.3 mp -42.08 -60.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.482 ' N ' HG22 ' A' ' 44' ' ' ILE . 45.8 tp -50.65 -37.96 43.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -58.3 -64.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -29.83 65.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.687 ' CE1' HG23 ' A' ' 44' ' ' ILE . 1.4 m80 -70.79 -31.38 68.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.582 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.838 HD22 HG23 ' A' ' 70' ' ' ILE . 16.8 mt -66.55 -42.36 87.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.659 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 63.8 mt-30 -60.12 -46.19 90.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' GLN . 7.7 tptt -39.31 -32.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.557 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 57.8 mm-40 -96.04 -37.52 10.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -64.97 -61.1 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.4 pt20 -70.46 -34.06 71.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.443 ' HB1' ' H ' ' A' ' 59' ' ' ASN . . . 50.8 77.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -40.33 -84.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.1 55.57 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.62 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.9 76.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.443 ' H ' ' HB1' ' A' ' 55' ' ' ALA . 2.0 t-20 -132.81 95.62 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.4 p 174.74 125.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.1 39.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.606 ' CZ ' HG23 ' A' ' 12' ' ' THR . 21.6 m-85 -123.72 177.61 5.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.839 HG22 ' OE1' ' A' ' 66' ' ' GLN . 1.9 t -104.78 171.13 7.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.417 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -52.01 -51.9 54.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.332 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.42 ' CA ' ' HE2' ' A' ' 113' ' ' LYS . 10.3 mm-40 -46.67 -58.91 3.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.839 ' OE1' HG22 ' A' ' 63' ' ' THR . 56.1 mt-30 -53.78 -59.6 4.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.546 ' HA ' HD12 ' A' ' 70' ' ' ILE . 20.4 mtpt -40.66 -49.42 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.27 -68.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.407 ' OG1' ' CE1' ' A' ' 111' ' ' TYR . 1.1 m -47.93 -54.28 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.838 HG23 HD22 ' A' ' 49' ' ' LEU . 80.1 mt -40.76 -43.24 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.41 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -72.64 -51.8 11.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' CG ' ' HB3' ' A' ' 121' ' ' PRO . 11.4 mttt -47.15 -41.73 18.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.73 HD13 ' HG ' ' A' ' 105' ' ' LEU . 88.8 mt -53.17 -56.93 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.529 ' HB3' ' CD1' ' A' ' 122' ' ' ILE . . . -47.68 -56.25 7.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.9 m -39.86 -49.21 2.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' CB ' HD11 ' A' ' 101' ' ' LEU . 47.2 m -57.32 -50.13 73.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.628 HD12 ' CA ' ' A' ' 46' ' ' ALA . 16.0 mt -44.07 -59.11 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.33 -27.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.404 ' N ' ' C ' ' A' ' 77' ' ' LEU . 20.7 mt -79.28 -58.1 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.672 ' CZ ' HD21 ' A' ' 84' ' ' LEU . 14.2 tpt85 -48.89 -65.28 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.702 ' HB3' HG23 ' A' ' 39' ' ' ILE . 31.5 m -41.2 -61.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 86' ' ' SER . . . -50.94 -46.81 61.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -48.72 -36.97 17.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.883 HD12 HG13 ' A' ' 39' ' ' ILE . 21.3 mt -67.35 -50.38 60.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -66.95 -19.36 65.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 82' ' ' ALA . 1.3 p -82.71 -12.71 57.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 89' ' ' SER . 11.5 m 57.29 165.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.421 ' N ' HG22 ' A' ' 87' ' ' THR . 0.9 OUTLIER -45.51 94.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 87' ' ' THR . 1.3 t 179.02 160.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 63.53 179.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.03 63.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.78 -145.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.549 ' CE1' ' CD1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -86.56 142.23 28.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 -168.8 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.904 HD23 HD23 ' A' ' 98' ' ' LEU . 8.8 mt -81.82 -53.13 6.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 9.3 pt-20 -51.15 -33.8 28.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 77.3 m-20 -81.51 -25.8 35.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.904 HD23 HD23 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -79.29 -39.84 31.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -56.56 -18.19 10.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 96' ' ' GLU . 19.3 mtpp -70.9 -6.29 37.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.6 HD23 HD12 ' A' ' 104' ' ' ILE . 83.2 mt -100.36 2.13 42.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.679 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -79.14 -50.21 1.4 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.06 -30.21 7.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.6 HD12 HD23 ' A' ' 101' ' ' LEU . 65.5 mt -61.03 -46.45 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.73 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.4 mt -70.42 -31.66 68.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -72.24 -51.57 20.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 110' ' ' THR . 9.7 m-80 -92.11 24.71 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.61 -36.37 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.487 HD13 ' HE3' ' A' ' 8' ' ' MET . 0.2 OUTLIER -79.64 -35.18 39.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 107' ' ' ASN . 0.0 OUTLIER -112.72 52.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.407 ' CE1' ' OG1' ' A' ' 69' ' ' THR . 0.7 OUTLIER -120.15 125.03 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -71.32 123.59 22.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.42 ' HE2' ' CA ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -53.22 -175.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 115' ' ' PHE . 0.9 OUTLIER 77.85 60.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.55 ' CD2' ' HD2' ' A' ' 116' ' ' PRO . 0.5 OUTLIER -36.52 147.78 0.19 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.989 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.0 -38.35 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.771 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.549 ' CD1' ' CE1' ' A' ' 93' ' ' PHE . 93.7 m-85 -85.84 -10.53 55.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' PHE . 33.7 m-20 39.38 82.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 120' ' ' GLN . 5.9 m -124.38 127.95 73.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' VAL . 0.2 OUTLIER -38.44 124.19 1.12 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.424 ' HB3' ' CG ' ' A' ' 72' ' ' LYS . 18.1 Cg_endo -74.95 148.33 35.37 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.475 1.776 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.529 ' CD1' ' HB3' ' A' ' 74' ' ' ALA . 2.1 mt -72.72 139.34 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.42 113.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -97.69 -114.95 3.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.9 171.49 8.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.3 m -149.59 152.33 35.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t -110.44 -58.67 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -78.5 115.62 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.5 119.64 0.91 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.29 131.61 39.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -90.55 -62.42 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.04 -67.43 1.51 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.778 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -178.81 64.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 111.012 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 40.73 -153.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.977 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' CD ' ' N ' ' A' ' 10' ' ' GLU . 2.2 pm0 -118.11 -38.82 3.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.2 m -56.33 -43.01 75.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.767 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 93.2 m -69.87 -42.79 73.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.3 -25.32 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 p -87.64 -18.62 29.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.957 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.569 HD13 ' CH2' ' A' ' 19' ' ' TRP . 4.9 mt -71.15 -68.17 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.3 mt -41.23 -28.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 15' ' ' LEU . 9.6 mt-30 -86.21 -70.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -40.08 -32.28 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.256 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.569 ' CH2' HD13 ' A' ' 15' ' ' LEU . 6.6 m0 -69.23 -66.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.025 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.57 -23.49 4.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.6 -34.98 70.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.51 ' CB ' HD22 ' A' ' 45' ' ' LEU . 3.7 m -62.8 -62.04 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.035 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.625 ' CD1' HD21 ' A' ' 98' ' ' LEU . 21.8 tp -50.82 -58.37 6.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -37.96 -46.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -74.26 -48.17 30.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.7 -37.63 3.95 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.29 -52.92 42.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.515 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 24.6 m-20 -41.11 -56.63 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -55.6 -52.71 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -64.31 0.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 m -41.04 -65.8 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.515 ' CH2' ' HB3' ' A' ' 28' ' ' ASP . 28.9 m0 -48.62 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.67 43.53 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.531 1.145 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 4.4 mm-40 -114.18 68.31 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.317 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 39' ' ' ILE . 9.6 mt -56.47 -58.91 6.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.777 HG13 ' H ' ' A' ' 37' ' ' GLU . 1.4 p -42.37 -71.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.777 ' H ' HG13 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -51.77 -44.43 63.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -52.51 -62.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.893 HG13 HD12 ' A' ' 84' ' ' LEU . 3.4 mt -43.42 -52.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.93 -53.87 9.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -50.18 -66.16 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.537 ' HE2' HD11 ' A' ' 84' ' ' LEU . 22.0 m-85 -46.08 -66.98 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.503 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 31.2 mt-30 -40.57 -64.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.442 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.1 mp -43.2 -54.3 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.51 HD22 ' CB ' ' A' ' 22' ' ' SER . 20.7 tp -58.19 -40.89 82.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.519 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -56.66 -58.33 8.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -34.71 63.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.442 ' CE1' HG23 ' A' ' 44' ' ' ILE . 1.3 m80 -66.13 -36.43 83.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.599 HD13 ' HB ' ' A' ' 73' ' ' ILE . 71.8 mt -65.64 -58.5 5.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.442 ' C ' ' N ' ' A' ' 52' ' ' GLU . 7.5 mt-30 -47.45 -44.9 25.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -29.04 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.476 ' HB2' HG21 ' A' ' 70' ' ' ILE . 33.1 mm-40 -94.1 -40.58 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -60.81 -37.11 80.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -116.65 41.75 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.605 ' HB1' ' O ' ' A' ' 58' ' ' ASN . . . -45.67 107.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.68 -59.69 1.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -79.06 -54.64 5.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.6 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.605 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -99.88 98.84 9.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -46.97 -39.5 12.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m 76.53 144.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.57 54.1 2.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.767 ' CZ ' HG23 ' A' ' 12' ' ' THR . 39.3 m-85 -127.3 142.53 51.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.448 HG23 ' CG ' ' A' ' 65' ' ' GLU . 5.4 t -80.56 156.89 26.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -47.88 -62.55 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 8.4 pt-20 -41.89 -32.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 35.3 mt-30 -81.5 -50.31 9.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 70' ' ' ILE . 34.8 mtpt -56.28 -37.39 69.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -59.58 -54.7 43.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.598 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 48.2 m -51.8 -58.12 7.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.544 HG23 HD22 ' A' ' 49' ' ' LEU . 63.5 mt -40.91 -43.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.471 ' CA ' HG12 ' A' ' 122' ' ' ILE . . . -65.38 -56.57 14.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 1.7 mttt -41.06 -38.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.822 HG23 HD13 ' A' ' 101' ' ' LEU . 71.9 mt -62.63 -59.13 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -43.33 -44.83 5.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.4 -58.2 7.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.653 ' SG ' HG11 ' A' ' 119' ' ' VAL . 71.9 m -47.54 -55.7 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 108.31 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 46' ' ' ALA . 3.6 mt -38.97 -63.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' LEU . 1.4 mm-40 -37.53 -51.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.592 HD13 ' N ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -54.91 -56.08 23.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 28.4 tpt180 -56.3 -61.63 2.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.417 ' O ' ' NE2' ' A' ' 85' ' ' GLN . 75.3 m -39.13 -52.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.61 -48.02 73.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -40.84 -53.82 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.893 HD12 HG13 ' A' ' 39' ' ' ILE . 23.0 mt -52.84 -48.86 66.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 81' ' ' SER . 23.8 mt-30 -59.8 -39.84 86.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 t -72.75 138.91 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 87' ' ' THR . 7.5 m -152.49 70.49 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -172.05 81.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 39.28 73.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.049 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -109.07 175.45 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -149.41 68.08 1.02 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -109.85 -151.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.59 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -76.91 141.92 40.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.421 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -106.23 -170.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 95' ' ' LEU . 3.5 tp -75.31 -59.94 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.36 -46.92 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -60.63 -38.22 84.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.625 HD21 ' CD1' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -74.23 -46.39 42.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.409 ' HA ' HD21 ' A' ' 23' ' ' LEU . 15.0 mttm -53.36 -23.16 8.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -72.07 -5.64 36.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.822 HD13 HG23 ' A' ' 73' ' ' ILE . 90.0 mt -99.56 -3.61 32.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -72.69 -50.32 7.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.0 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 108' ' ' ILE . 15.8 mt -45.48 -51.37 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.636 ' HG ' HD13 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -52.58 -35.42 53.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 103' ' ' PRO . 15.6 mttt -79.55 -38.12 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.459 ' OD1' ' CG2' ' A' ' 110' ' ' THR . 32.7 m-80 -88.67 16.16 7.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -54.41 -28.67 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.778 HD11 ' CE ' ' A' ' 8' ' ' MET . 77.0 mt -80.98 -47.17 14.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.459 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 8.5 t -91.84 34.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.598 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 17.7 t80 -82.63 125.8 31.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -97.71 27.52 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.577 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 12.6 mttt 51.0 -179.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.8 tt0 80.24 74.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -57.78 144.43 73.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.441 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -74.98 -14.28 21.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.441 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 48.1 m-85 -116.38 152.36 34.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -77.09 68.76 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.653 HG11 ' SG ' ' A' ' 76' ' ' CYS . 28.9 m -125.06 131.78 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -88.45 158.34 48.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 134.14 17.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.471 HG12 ' CA ' ' A' ' 71' ' ' GLY . 10.8 mm -43.84 -91.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 68.3 p -39.43 130.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -123.18 -129.36 3.49 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 78.56 2.85 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.769 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.66 91.47 2.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.27 119.86 13.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.55 165.09 11.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.018 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -128.67 93.93 3.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.56 -103.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.67 87.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.13 77.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.14 127.18 9.92 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 ttt 60.13 124.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -148.2 -96.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.955 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -115.53 -15.97 11.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.7 m -85.54 -38.29 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.4 m -79.89 -48.91 12.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 110.37 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -41.05 52.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -29.31 69.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.61 HD23 ' HG2' ' A' ' 18' ' ' ARG . 4.1 mt -69.05 -61.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.964 HD12 ' O ' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -42.59 -28.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.441 ' N ' ' C ' ' A' ' 15' ' ' LEU . 33.4 mt-30 -89.15 -70.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.61 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -38.71 -33.5 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.793 ' HB3' HD13 ' A' ' 105' ' ' LEU . 4.4 m0 -70.17 -67.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 108.029 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.82 -27.82 14.47 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.7 -42.0 95.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.2 -63.03 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 110.018 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.879 HD11 ' HG ' ' A' ' 98' ' ' LEU . 52.7 tp -47.29 -59.82 2.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -40.25 -46.99 2.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -44.95 70.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.09 -35.67 33.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.89 -44.65 61.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.504 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . 67.4 m-20 -50.45 -54.28 23.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 37' ' ' GLU . 16.3 m-85 -51.73 -59.16 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -54.09 -54.31 41.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.02 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.504 ' CZ2' ' HB3' ' A' ' 28' ' ' ASP . 5.1 m0 -55.46 -65.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.97 47.8 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' LEU . 13.6 mm100 -115.98 45.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.5 mt -36.68 -43.25 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.01 -59.98 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.9 mt-10 -61.69 -39.86 92.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' HB1' ' CE2' ' A' ' 42' ' ' TYR . . . -56.85 -50.18 73.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 35' ' ' LEU . 7.8 mt -54.15 -60.06 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.85 -60.87 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -46.19 -59.54 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.597 ' CE1' HD21 ' A' ' 98' ' ' LEU . 18.7 m-85 -51.31 -63.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.508 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 27.1 mt-30 -47.94 -62.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.604 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.1 mp -40.83 -56.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 55.3 tp -55.5 -42.96 75.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.652 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -55.65 -53.55 55.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -27.42 68.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.604 ' CE1' HG23 ' A' ' 44' ' ' ILE . 1.3 m80 -73.73 -42.13 61.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.549 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.877 HD22 HG23 ' A' ' 70' ' ' ILE . 32.7 mt -53.86 -53.95 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.575 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 38.1 mt-30 -49.98 -45.47 51.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' GLN . 12.9 tptt -39.53 -31.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.504 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 17.1 mm-40 -95.75 -39.32 9.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -61.48 -59.93 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' GLN . 9.0 pt20 -101.41 43.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.99 ' HB3' ' HA ' ' A' ' 59' ' ' ASN . . . -46.6 95.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' GLN . 26.4 tt0 -39.75 -29.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -105.34 109.55 21.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 59' ' ' ASN . 16.8 m-80 60.97 -87.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.99 ' HA ' ' HB3' ' A' ' 55' ' ' ALA . 7.6 m-20 165.02 43.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 p 61.06 -162.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.02 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.62 8.13 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.402 ' CE1' HG21 ' A' ' 108' ' ' ILE . 31.2 m-85 -92.45 150.41 20.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.715 HG22 ' CD ' ' A' ' 66' ' ' GLN . 3.8 t -78.66 156.48 29.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 68' ' ' LYS . 7.7 mt-10 -37.87 -55.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' CA ' ' HE3' ' A' ' 113' ' ' LYS . 55.8 mt-10 -49.07 -52.76 23.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.715 ' CD ' HG22 ' A' ' 63' ' ' THR . 5.6 mt-30 -55.71 -63.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -56.39 -19.02 12.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -80.35 -30.05 37.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 70' ' ' ILE . 1.1 m -88.39 -45.93 9.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.877 HG23 HD22 ' A' ' 49' ' ' LEU . 92.5 mt -40.67 -57.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.414 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -48.67 -52.75 19.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.563 1.165 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -44.54 -52.09 8.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.855 HD13 ' HG ' ' A' ' 105' ' ' LEU . 25.7 mt -48.21 -52.74 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -53.12 -57.13 11.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.453 ' CG2' ' HB ' ' A' ' 119' ' ' VAL . 0.8 OUTLIER -37.35 -61.67 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.436 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.805 ' SG ' HG11 ' A' ' 119' ' ' VAL . 1.8 m -41.83 -50.3 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 108.289 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.652 HD12 ' CA ' ' A' ' 46' ' ' ALA . 15.0 mt -44.5 -50.4 9.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -49.14 -28.08 4.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.657 ' N ' HD12 ' A' ' 79' ' ' LEU . 2.3 mp -78.24 -60.3 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.85 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 9.6 tpt85 -45.95 -67.97 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.446 ' HA ' HD23 ' A' ' 84' ' ' LEU . 85.2 p -41.33 -70.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' N ' ' OG ' ' A' ' 81' ' ' SER . . . -42.3 -41.22 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.85 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -47.03 -54.6 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.721 HD22 ' O ' ' A' ' 80' ' ' ARG . 2.1 mm? -55.24 -60.65 3.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -50.29 -49.9 52.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -38.39 140.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.7 m -90.26 166.0 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.395 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 69.83 -65.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.72 -75.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 69.0 -73.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 57.84 78.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.91 -0.18 42.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 97' ' ' ASP . 1.4 t80 -178.87 105.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.431 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -63.09 -170.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 98' ' ' LEU . 2.2 mt -85.04 -57.14 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -47.3 -23.43 0.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.572 ' HB3' ' CE1' ' A' ' 93' ' ' PHE . 37.3 m-20 -86.31 -37.57 18.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.879 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.9 tp -70.87 -47.91 56.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -14.56 38.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -76.23 -2.33 30.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.016 HD23 HD12 ' A' ' 104' ' ' ILE . 83.1 mt -103.66 -1.65 27.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -66.11 -52.55 38.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -74.97 -29.54 8.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.016 HD12 HD23 ' A' ' 101' ' ' LEU . 43.7 mt -63.1 -32.85 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.872 ' O ' HD13 ' A' ' 16' ' ' LEU . 2.5 mt -87.14 -35.98 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.964 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -68.47 -42.97 77.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' A' ' 111' ' ' TYR . 20.1 m-80 -101.71 27.75 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.539 HG13 HD23 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -44.61 -46.54 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.7 mt -55.25 -63.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 t -107.62 57.46 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.812 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -97.47 -21.35 17.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 62.25 125.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.497 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -57.36 -164.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 0.9 OUTLIER 82.65 45.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.289 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.444 ' CE2' HD21 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -37.95 143.43 0.4 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.417 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -74.95 -9.38 20.82 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -128.55 162.58 26.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.69 87.87 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.805 HG11 ' SG ' ' A' ' 76' ' ' CYS . 2.7 m -130.83 130.62 64.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -79.52 142.57 58.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.55 38.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.536 1.808 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.54 HG21 ' CD ' ' A' ' 50' ' ' GLN . 2.9 mt -84.09 134.03 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -155.14 139.28 16.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -129.15 -156.36 8.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 76.78 3.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.794 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.33 -58.75 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.0 m -55.75 -57.86 10.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 1.067 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 13.6 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -35.47 70.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 t -67.85 -27.48 66.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.866 HD13 ' CH2' ' A' ' 19' ' ' TRP . 2.8 mt -68.49 -64.68 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 105' ' ' LEU . 72.7 mt -41.23 -28.72 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' N ' ' C ' ' A' ' 15' ' ' LEU . 2.6 mm-40 -73.31 -68.9 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -51.96 -33.39 37.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.866 ' CH2' HD13 ' A' ' 15' ' ' LEU . 6.5 m0 -67.87 -64.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.36 -22.05 9.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.08 -28.11 54.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.763 ' HB3' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -70.32 -58.96 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.776 HD11 ' HG ' ' A' ' 98' ' ' LEU . 50.7 tp -52.65 -55.78 20.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.11 -47.32 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.475 ' CG ' ' OD2' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -73.25 -55.43 6.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -37.97 -29.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . -83.2 -50.21 8.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 0.741 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.475 ' OD2' ' CG ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -40.26 -42.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -62.53 -54.3 41.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.51 -65.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.2 -64.29 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.416 ' CZ3' ' OD1' ' A' ' 28' ' ' ASP . 13.1 m0 -51.35 -74.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.3 43.26 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.403 ' NE2' ' OE1' ' A' ' 37' ' ' GLU . 8.4 mm100 -117.24 63.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.476 HD23 ' N ' ' A' ' 35' ' ' LEU . 4.9 mt -54.12 -53.78 48.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.7 t -44.88 -69.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' OE1' ' NE2' ' A' ' 34' ' ' GLN . 3.6 mt-10 -49.9 -43.8 49.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -51.97 -64.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.865 HG13 HD12 ' A' ' 84' ' ' LEU . 6.5 mt -40.88 -59.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.09 -61.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -45.32 -60.41 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.461 ' CE1' HD21 ' A' ' 98' ' ' LEU . 18.0 m-85 -50.89 -60.93 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -48.5 -64.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.603 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.1 mp -42.04 -54.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.763 HD22 ' HB3' ' A' ' 22' ' ' SER . 23.6 tp -58.59 -41.65 86.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.452 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -60.47 -52.11 66.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -44.62 57.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 10.2 m170 -61.74 -47.67 84.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.595 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.879 HD22 HG23 ' A' ' 70' ' ' ILE . 17.0 mt -48.07 -40.15 22.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.646 ' NE2' HD13 ' A' ' 122' ' ' ILE . 20.5 mm-40 -72.39 -51.51 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -29.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 50' ' ' GLN . 17.9 mm-40 -94.93 -34.32 12.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -70.61 -64.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 1.067 ' CZ ' HG23 ' A' ' 12' ' ' THR . 26.7 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.521 0.201 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.591 HG22 ' CD ' ' A' ' 66' ' ' GLN . 8.2 t -65.2 -165.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.492 ' N ' ' OG1' ' A' ' 63' ' ' THR . 5.0 mt-10 -85.95 -38.21 18.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 66' ' ' GLN . 1.4 pt-20 -68.3 -25.16 64.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.851 ' NE2' HD23 ' A' ' 109' ' ' LEU . 65.9 mt-30 -79.72 -68.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -39.9 -41.95 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mmpp? -42.64 -64.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.628 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.9 m -55.85 -49.82 72.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.879 HG23 HD22 ' A' ' 49' ' ' LEU . 60.7 mt -49.55 -52.12 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.92 -16.74 59.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' THR . 19.6 mttt -90.65 -55.63 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.699 ' HB ' HD13 ' A' ' 49' ' ' LEU . 63.1 mt -37.53 -42.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.37 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.493 ' HB3' ' NE2' ' A' ' 50' ' ' GLN . . . -54.22 -56.11 21.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.634 ' OG1' HD12 ' A' ' 122' ' ' ILE . 23.3 m -37.66 -58.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.535 ' SG ' HG11 ' A' ' 119' ' ' VAL . 84.9 m -47.72 -53.24 15.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.296 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.452 HD12 ' CA ' ' A' ' 46' ' ' ALA . 13.9 mt -46.87 -58.78 3.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -42.78 -27.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 77' ' ' LEU . 29.1 mt -81.09 -50.73 9.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.636 ' HD3' HD22 ' A' ' 98' ' ' LEU . 15.0 tpt85 -53.84 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.692 ' HB3' HG23 ' A' ' 39' ' ' ILE . 28.4 m -44.78 -52.41 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.0 -50.2 74.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -43.61 -40.32 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.865 HD12 HG13 ' A' ' 39' ' ' ILE . 24.6 mt -67.42 -53.84 25.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -57.23 -50.68 72.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.472 0.177 . . . . 0.0 111.061 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.468 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -106.4 -169.72 1.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.783 HD23 HD23 ' A' ' 98' ' ' LEU . 2.6 mt -77.99 -56.56 4.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 9.1 pt-20 -47.85 -46.19 30.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -64.28 -26.99 68.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.783 HD23 HD23 ' A' ' 95' ' ' LEU . 1.5 tp -81.18 -49.86 10.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -13.54 32.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -67.82 -9.46 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.244 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.673 HD13 HG23 ' A' ' 73' ' ' ILE . 16.6 mt -99.67 -19.38 16.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.667 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -47.51 -51.26 45.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.02 -49.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.471 HD12 HD23 ' A' ' 101' ' ' LEU . 16.2 mt -40.13 -63.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.662 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -39.69 -50.55 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -47.19 78.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -87.34 40.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.47 ' CG1' ' HA ' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -73.94 -45.34 49.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.851 HD23 ' NE2' ' A' ' 66' ' ' GLN . 2.0 mt -64.29 -39.85 94.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.2 t -98.96 47.74 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.4 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.628 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 67.0 t80 -110.59 107.18 16.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 113' ' ' LYS . 1.2 t30 -88.64 48.94 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.611 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 4.4 mptp? 44.17 -168.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 2.7 tt0 84.36 51.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.592 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -52.76 139.91 40.17 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.04 2.54 6.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.434 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 55.3 m-85 -135.71 165.18 26.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 111.062 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -98.53 86.42 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.535 HG11 ' SG ' ' A' ' 76' ' ' CYS . 15.6 m -135.9 120.37 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.21 151.46 83.63 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.38 4.89 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.646 HD13 ' NE2' ' A' ' 50' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.798 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 3.7 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -45.49 -45.12 13.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -56.34 -33.08 65.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.568 ' HG ' ' CE3' ' A' ' 19' ' ' TRP . 7.0 tp -68.69 -70.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.768 HD22 ' O ' ' A' ' 105' ' ' LEU . 82.4 mt -40.05 -29.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' LEU . 2.8 mt-30 -79.45 -65.72 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.442 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -47.91 -32.65 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.635 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 5.7 m0 -69.5 -63.5 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.5 -22.9 4.15 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.42 -32.36 68.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.747 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m -68.47 -65.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.853 HD11 ' HG ' ' A' ' 98' ' ' LEU . 22.3 tp -46.24 -54.94 7.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.63 -55.36 7.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -61.18 -50.48 72.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.59 -29.0 2.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.03 -48.72 12.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.53 -43.11 35.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -65.31 -50.97 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.3 OUTLIER -53.49 -61.49 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' ASP . 1.0 OUTLIER -38.2 -69.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -48.03 -70.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 108.012 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.49 43.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.118 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 10.5 mm100 -113.88 72.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 110.347 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 35' ' ' LEU . 6.7 mt -62.19 -53.75 50.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -46.21 -66.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.15 -42.42 69.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -55.72 -57.27 12.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.2 mt -45.8 -64.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.26 -52.54 12.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -47.98 -54.66 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.572 ' O ' HD13 ' A' ' 77' ' ' LEU . 19.1 m-85 -62.94 -49.31 75.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.493 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 69.8 mt-30 -53.28 -61.58 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.529 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.1 mp -40.65 -60.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.635 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 25.1 tp -53.53 -40.58 65.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.574 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -60.75 -50.89 71.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.88 -42.84 76.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 10.1 m170 -62.86 -47.98 81.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.764 ' CD2' HG23 ' A' ' 70' ' ' ILE . 62.7 mt -49.99 -46.56 52.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.475 ' CD ' HG21 ' A' ' 122' ' ' ILE . 46.3 mt-30 -57.15 -53.18 61.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.19 -27.81 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 50' ' ' GLN . 36.0 mm-40 -94.93 -34.71 12.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -69.47 -50.58 44.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.798 ' CZ ' HG23 ' A' ' 12' ' ' THR . 59.7 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.49 0.186 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.712 HG22 ' CD ' ' A' ' 66' ' ' GLN . 5.0 t -99.03 161.05 13.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -43.26 -54.87 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 32.3 mt-10 -45.24 -51.09 11.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.712 ' CD ' HG22 ' A' ' 63' ' ' THR . 6.8 mt-30 -59.99 -68.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.637 ' HA ' HD12 ' A' ' 70' ' ' ILE . 9.7 mtpt -46.43 -32.89 3.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' CG ' ' HE2' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -60.88 -56.71 17.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.56 -45.87 81.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.764 HG23 ' CD2' ' A' ' 49' ' ' LEU . 95.5 mt -41.22 -39.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.04 -59.76 7.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 0.9 OUTLIER -40.87 -43.57 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.542 HD13 ' HG ' ' A' ' 105' ' ' LEU . 35.0 mt -52.35 -55.94 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -52.71 -55.11 25.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.419 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 1.1 m -38.7 -52.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.834 ' HA ' HD22 ' A' ' 79' ' ' LEU . 94.1 m -54.02 -55.93 22.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 108.237 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.574 HD12 ' HB2' ' A' ' 46' ' ' ALA . 8.0 mt -38.23 -62.34 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -39.64 -44.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.834 HD22 ' HA ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -65.54 -52.34 53.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 12.6 tpt180 -53.23 -56.54 15.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.7 m -49.38 -62.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' ALA . . . -51.73 -50.21 61.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -39.96 -38.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 84' ' ' LEU . 5.3 mt -70.86 -53.0 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -53.78 -39.58 65.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.599 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.498 0.19 . . . . 0.0 110.98 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 -169.13 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.968 HD23 HD23 ' A' ' 98' ' ' LEU . 1.8 mt -80.87 -51.92 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.49 -52.86 43.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.511 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 37.4 m-20 -61.25 -24.28 66.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.968 HD23 HD23 ' A' ' 95' ' ' LEU . 1.8 tp -79.9 -49.98 11.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.252 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.582 ' HD2' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -60.64 -16.39 38.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -72.59 -7.02 48.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.556 HD23 HD12 ' A' ' 104' ' ' ILE . 18.8 mt -97.53 -4.73 37.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.506 ' CG ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -68.67 -51.18 22.28 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.04 -31.52 6.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.556 HD12 HD23 ' A' ' 101' ' ' LEU . 70.0 mt -59.18 -45.05 93.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.768 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -67.84 -33.28 74.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -52.95 15.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 111' ' ' TYR . 44.7 m-80 -92.41 26.14 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -44.9 -45.03 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.661 HD23 ' NE2' ' A' ' 66' ' ' GLN . 1.3 mt -68.82 -55.88 9.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.447 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 3.2 t -91.74 46.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.514 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.1 OUTLIER -113.55 129.47 56.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -70.1 129.88 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.476 ' CE ' ' HA ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -63.66 -174.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 70.8 70.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.552 ' CD2' ' CG2' ' A' ' 119' ' ' VAL . 0.3 OUTLIER -37.26 147.14 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.543 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.5 Cg_endo -74.95 -35.0 3.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 119' ' ' VAL . 20.0 m-85 -98.57 151.39 20.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.51 92.82 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.767 HG11 ' SG ' ' A' ' 76' ' ' CYS . 4.0 m -147.67 127.84 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.4 160.08 40.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.08 23.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.475 HG21 ' CD ' ' A' ' 50' ' ' GLN . 3.5 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.937 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 2.6 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -51.79 -50.27 61.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.406 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -63.35 -32.86 74.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.78 HD23 ' HG3' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -50.75 -42.32 57.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.697 HD22 ' O ' ' A' ' 105' ' ' LEU . 90.7 mt -52.89 -22.92 6.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' ARG . 26.0 mm-40 -83.23 -73.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.78 ' HG3' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -36.58 -47.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -57.63 -67.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 108.033 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.37 -35.36 20.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.22 90.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -63.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.87 HD11 ' HG ' ' A' ' 98' ' ' LEU . 49.9 tp -47.39 -58.15 4.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.85 -59.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -58.21 -47.6 82.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.61 -34.11 13.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.37 -42.17 37.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.45 0.736 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -47.58 69.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 48.6 m-85 -60.98 -54.95 38.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.72 -58.5 5.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.23 -65.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -53.05 -66.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.008 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.22 45.82 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -114.96 66.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 35' ' ' LEU . 7.0 mt -52.96 -61.29 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.759 HG13 ' H ' ' A' ' 37' ' ' GLU . 1.2 p -40.76 -71.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.759 ' H ' HG13 ' A' ' 36' ' ' VAL . 1.5 mt-10 -48.33 -46.19 36.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -52.8 -64.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.648 HG13 HD12 ' A' ' 84' ' ' LEU . 5.0 mt -41.16 -54.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.509 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -45.78 -54.53 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -50.74 -69.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.581 ' CE1' HD21 ' A' ' 98' ' ' LEU . 21.1 m-85 -43.95 -66.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.531 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 37.2 mt-30 -39.72 -65.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -41.42 -56.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.8 tp -56.33 -40.32 74.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -57.83 -50.05 74.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -58.68 -48.55 80.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 11.9 m170 -53.45 -53.37 52.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.57 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.649 HD22 HG23 ' A' ' 70' ' ' ILE . 60.8 mt -42.2 -48.03 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.82 ' CD ' HG21 ' A' ' 122' ' ' ILE . 37.1 mt-30 -58.07 -47.73 82.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -40.15 -31.9 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 50' ' ' GLN . 72.4 mm-40 -95.91 -35.98 11.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -68.73 -66.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.28 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.937 ' CZ ' HG23 ' A' ' 12' ' ' THR . 67.8 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.476 0.179 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.447 HG22 ' OE1' ' A' ' 66' ' ' GLN . 9.7 t -98.23 164.37 12.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.12 -56.28 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -44.83 -61.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.447 ' OE1' HG22 ' A' ' 63' ' ' THR . 1.3 mp0 -51.17 -56.65 11.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -47.92 -54.68 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -41.96 -62.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.546 HG22 HD11 ' A' ' 108' ' ' ILE . 0.9 OUTLIER -56.67 -54.96 40.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.649 HG23 HD22 ' A' ' 49' ' ' LEU . 91.8 mt -39.6 -44.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.89 -43.66 49.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 69' ' ' THR . 14.7 mttt -57.82 -31.74 66.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.564 ' HB ' HD13 ' A' ' 49' ' ' LEU . 50.4 mt -64.19 -50.54 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.445 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -54.64 -46.31 73.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.483 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 2.1 m -46.2 -52.69 11.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.37 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.979 ' SG ' HG11 ' A' ' 119' ' ' VAL . 69.8 m -53.99 -51.34 64.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 108.256 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.509 HD12 ' CA ' ' A' ' 46' ' ' ALA . 14.9 mt -45.69 -58.97 3.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -43.31 -29.67 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.87 -54.12 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 20.4 tpt180 -52.07 -58.74 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.55 ' HB3' HG23 ' A' ' 39' ' ' ILE . 48.4 m -51.36 -50.84 58.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.91 -48.24 82.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -43.79 -51.16 7.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.648 HD12 HG13 ' A' ' 39' ' ' ILE . 23.3 mt -53.61 -48.77 68.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -60.36 -40.29 90.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.595 ' CZ ' ' CG ' ' A' ' 97' ' ' ASP . 1.3 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.468 0.175 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.437 ' CD ' ' CG ' ' A' ' 96' ' ' GLU . 1.5 ptpt -110.64 -169.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.789 HD23 HD23 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -83.85 -50.54 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.437 ' CG ' ' CD ' ' A' ' 94' ' ' LYS . 10.5 pt-20 -47.93 -52.95 17.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.615 ' OD1' ' CE2' ' A' ' 117' ' ' PHE . 20.4 t0 -55.43 -37.57 67.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.87 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.2 tp -69.22 -61.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -20.19 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -68.46 -10.99 59.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.486 HD13 HG23 ' A' ' 73' ' ' ILE . 50.7 mt -97.28 -7.96 30.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.537 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -63.61 -49.76 75.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.03 -41.72 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 108' ' ' ILE . 7.5 mt -51.84 -46.11 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.697 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -59.35 -33.53 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -78.82 -40.58 32.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -89.35 16.35 7.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.546 HD11 HG22 ' A' ' 69' ' ' THR . 0.4 OUTLIER -50.32 -50.74 20.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.7 mt -57.68 -53.69 55.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.5 t -86.65 44.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.602 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 50.3 t80 -105.34 115.0 29.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 113' ' ' LYS . 34.0 m120 -88.74 44.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.602 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 4.2 mttt 44.32 -166.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 73.45 76.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.86 146.01 77.26 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.07 19.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.615 ' CE2' ' OD1' ' A' ' 97' ' ' ASP . 70.1 m-85 -120.88 177.7 5.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -106.18 94.29 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.979 HG11 ' SG ' ' A' ' 76' ' ' CYS . 18.8 m -139.0 131.96 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.88 145.1 73.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.74 34.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.82 HG21 ' CD ' ' A' ' 50' ' ' GLN . 4.7 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -46.96 -42.25 17.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -36.66 50.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HG ' ' CE3' ' A' ' 19' ' ' TRP . 8.5 tp -67.42 -66.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.42 HD22 ' HB ' ' A' ' 108' ' ' ILE . 72.9 mt -42.3 -28.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' N ' ' C ' ' A' ' 15' ' ' LEU . 21.7 mm-40 -80.5 -68.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.495 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -44.55 -34.75 2.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.784 ' HB3' HD13 ' A' ' 105' ' ' LEU . 4.6 m0 -64.91 -60.98 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 108.011 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.67 -35.35 62.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.71 73.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.8 m -66.81 -62.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.794 HD11 ' HG ' ' A' ' 98' ' ' LEU . 58.3 tp -49.5 -58.48 5.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.425 ' NE ' ' OE2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -42.88 -60.93 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -53.5 -34.0 56.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.5 -30.68 78.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.411 ' HB2' ' HD2' ' A' ' 99' ' ' LYS . . . -76.82 -28.34 55.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -49.1 77.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CE1' ' OE1' ' A' ' 37' ' ' GLU . 27.9 m-85 -61.35 -52.37 64.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -45.31 -61.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.64 -72.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 3.2 m0 -48.53 -72.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 107.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 152.41 43.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.49 ' CB ' ' HB3' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -108.5 49.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.323 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.516 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 4.3 mt -42.52 -52.2 4.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.752 HG13 ' H ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -40.68 -72.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.752 ' H ' HG13 ' A' ' 36' ' ' VAL . 12.5 mt-10 -51.11 -40.65 58.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -53.37 -54.78 31.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.623 HG23 ' HB3' ' A' ' 81' ' ' SER . 6.2 mt -54.69 -47.35 73.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.482 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -55.16 -56.2 22.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -49.76 -66.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.736 ' CE1' HD21 ' A' ' 98' ' ' LEU . 21.5 m-85 -45.21 -64.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.627 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 62.7 mt-30 -41.74 -64.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -41.36 -62.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.536 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 14.8 tp -51.14 -39.16 55.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -58.79 -48.93 79.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -58.51 -46.92 85.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -55.33 -54.61 41.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.666 HD13 ' HB ' ' A' ' 73' ' ' ILE . 49.0 mt -40.63 -42.13 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.632 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 71.0 mt-30 -63.15 -51.29 67.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.87 -31.41 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 50' ' ' GLN . 8.7 mm-40 -96.02 -34.52 11.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.632 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -68.48 -58.97 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 50' ' ' GLN . 7.3 pt20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.473 0.178 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.53 HG22 ' CD ' ' A' ' 66' ' ' GLN . 9.8 t -86.19 165.35 16.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -47.23 -44.13 22.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 68' ' ' LYS . 49.0 mt-10 -59.26 -66.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.53 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -38.19 -62.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.345 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.609 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -51.96 -40.7 61.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -45.15 -48.82 12.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER -68.81 -46.68 68.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.354 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 67' ' ' LYS . 18.3 mt -39.32 -50.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.498 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -68.18 -49.42 46.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.509 ' HB3' HG23 ' A' ' 119' ' ' VAL . 76.7 mttt -49.51 -34.49 17.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.821 HD13 ' HG ' ' A' ' 105' ' ' LEU . 77.0 mt -63.64 -54.91 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.464 ' HB3' HD13 ' A' ' 122' ' ' ILE . . . -46.63 -49.39 19.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.402 ' OG1' HD11 ' A' ' 122' ' ' ILE . 2.1 m -46.25 -54.42 8.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.457 ' SG ' HG21 ' A' ' 119' ' ' VAL . 93.1 m -52.12 -52.03 54.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 46' ' ' ALA . 11.0 mt -44.63 -61.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -40.58 -32.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.7 mt -74.76 -56.8 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.621 ' CZ ' HD21 ' A' ' 84' ' ' LEU . 23.1 tpt180 -50.18 -66.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.623 ' HB3' HG23 ' A' ' 39' ' ' ILE . 58.6 m -40.22 -58.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 85' ' ' GLN . . . -55.18 -52.47 63.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -40.77 -35.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.621 HD21 ' CZ ' ' A' ' 80' ' ' ARG . 22.7 mt -73.11 -51.11 19.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 82' ' ' ALA . 11.9 mt-30 -59.72 -53.04 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.581 ' CZ ' ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.526 0.203 . . . . 0.0 110.991 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.468 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -107.08 -170.15 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.724 HD12 HD23 ' A' ' 98' ' ' LEU . 24.2 tp -79.11 -54.28 6.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 10.1 pt-20 -49.79 -44.08 48.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.46 ' HB3' ' CE1' ' A' ' 117' ' ' PHE . 74.7 m-20 -66.15 -26.24 67.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.794 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.8 tp -78.08 -46.65 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.411 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -64.28 -13.1 47.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -70.52 -7.43 43.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.719 HD13 HG23 ' A' ' 73' ' ' ILE . 60.6 mt -102.67 -7.07 22.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -63.05 -50.31 77.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -74.96 -35.55 3.11 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.707 HG23 ' CD2' ' A' ' 111' ' ' TYR . 64.6 mt -57.14 -44.28 83.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.821 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.5 mt -71.77 -35.34 70.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -67.25 -53.58 28.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 111' ' ' TYR . 32.0 m-80 -92.02 31.34 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.715 HG13 HD23 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -48.39 -42.65 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.43 -48.73 71.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.433 HG23 ' OD1' ' A' ' 107' ' ' ASN . 1.7 t -109.2 55.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.707 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.1 OUTLIER -107.08 140.19 40.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -73.12 118.12 15.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.503 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -63.45 -167.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.8 tt0 84.68 -45.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.4 OUTLIER 65.71 137.55 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.01 -46.1 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.581 ' CE1' ' CZ ' ' A' ' 93' ' ' PHE . 94.0 m-85 -77.67 135.82 38.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -74.06 66.46 1.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.509 HG23 ' HB3' ' A' ' 72' ' ' LYS . 16.8 m -121.27 141.57 41.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -98.84 167.55 11.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.83 14.79 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.532 HG21 ' CD ' ' A' ' 50' ' ' GLN . 1.4 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 1.043 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 67.7 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.18 -36.43 63.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m -72.81 -26.57 61.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.702 HD13 ' CH2' ' A' ' 19' ' ' TRP . 4.3 mt -71.29 -62.64 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.624 HD21 ' CG2' ' A' ' 108' ' ' ILE . 33.3 mt -43.95 -27.08 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' A' ' 15' ' ' LEU . 7.3 mm100 -85.47 -70.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.488 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -42.81 -34.84 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.778 ' HB3' HD22 ' A' ' 105' ' ' LEU . 8.5 m0 -66.99 -67.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 107.968 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.41 -33.29 3.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.77 99.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.454 ' HB2' HD22 ' A' ' 45' ' ' LEU . 26.0 m -58.9 -65.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.832 HD11 ' HG ' ' A' ' 98' ' ' LEU . 36.0 tp -43.39 -58.53 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 7.2 mmt180 -44.3 -64.11 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -51.93 -51.16 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.263 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.27 -28.88 1.51 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 24' ' ' ARG . . . -80.12 -50.32 10.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -43.21 -47.93 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -62.38 -60.36 3.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -46.78 -59.01 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -39.01 -73.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.951 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -46.16 -72.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.056 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.57 43.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.548 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 12.0 mm100 -112.67 73.6 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 39' ' ' ILE . 9.5 mt -63.49 -50.89 67.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.1 t -50.15 -68.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -41.1 64.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -56.68 -64.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.946 HG13 HD12 ' A' ' 84' ' ' LEU . 4.8 mt -41.95 -59.47 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.452 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -41.75 -55.5 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -48.54 -69.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.409 ' CE1' HD21 ' A' ' 98' ' ' LEU . 19.9 m-85 -43.85 -67.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.659 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 45.6 mt-30 -39.08 -64.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 45' ' ' LEU . 1.1 mp -41.63 -61.94 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.537 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 16.0 tp -51.22 -35.93 39.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -62.57 -48.6 78.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -49.85 74.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -52.98 -55.22 25.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.61 HD21 HD21 ' A' ' 105' ' ' LEU . 68.1 mt -41.0 -56.64 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.501 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 30.0 mt-30 -47.17 -49.04 23.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.72 -29.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.613 ' HB2' HG21 ' A' ' 70' ' ' ILE . 2.5 mt-10 -94.79 -38.66 10.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -64.04 -49.55 71.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 1.043 ' CZ ' HG23 ' A' ' 12' ' ' THR . 9.8 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.494 0.188 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.532 HG22 ' CD ' ' A' ' 66' ' ' GLN . 7.4 t -65.42 179.15 0.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -68.18 -38.61 82.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.417 ' CA ' ' HE2' ' A' ' 113' ' ' LYS . 0.7 OUTLIER -62.73 -41.12 99.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.606 ' CD ' HD23 ' A' ' 109' ' ' LEU . 5.5 mt-30 -68.12 -55.79 11.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.701 ' HA ' HD12 ' A' ' 70' ' ' ILE . 3.8 mtpt -49.1 -52.62 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -43.52 -58.6 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.57 ' OG1' ' CE1' ' A' ' 111' ' ' TYR . 2.5 m -57.06 -52.46 65.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 67' ' ' LYS . 71.1 mt -41.37 -47.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.627 ' O ' HD13 ' A' ' 122' ' ' ILE . . . -66.55 -39.89 94.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 3.0 mttt -61.81 -31.07 71.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.935 HD13 ' HG ' ' A' ' 105' ' ' LEU . 89.5 mt -66.69 -53.22 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -50.42 -52.27 39.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.404 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 1.2 m -38.77 -59.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.751 ' HA ' HD22 ' A' ' 79' ' ' LEU . 62.3 m -46.97 -57.24 5.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.578 HD12 ' CA ' ' A' ' 46' ' ' ALA . 5.6 mt -37.99 -63.76 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.67 -43.57 2.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -66.03 -50.97 62.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 22.5 tpt180 -58.13 -63.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.67 ' HB3' HG23 ' A' ' 39' ' ' ILE . 74.0 m -39.99 -55.56 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.33 -50.53 73.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -40.57 -43.08 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.946 HD12 HG13 ' A' ' 39' ' ' ILE . 11.1 mt -60.99 -54.14 48.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -52.63 -42.02 64.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.543 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.491 0.186 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.54 -168.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.788 HD23 HD23 ' A' ' 98' ' ' LEU . 1.2 mt -82.22 -51.39 7.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.49 -48.54 65.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -62.41 -28.94 70.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.832 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.6 tp -74.15 -51.92 14.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -57.21 -17.59 12.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -5.24 35.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.743 HD23 HD12 ' A' ' 104' ' ' ILE . 56.5 mt -98.91 -3.01 36.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -67.02 -49.95 44.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.4 Cg_endo -74.99 -33.34 4.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.743 HD12 HD23 ' A' ' 101' ' ' LEU . 96.8 mt -60.27 -51.38 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.935 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -65.13 -32.51 74.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.248 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -70.75 -55.55 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 111' ' ' TYR . 31.8 m-80 -92.47 25.91 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.624 ' CG2' HD21 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -45.14 -35.27 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.606 HD23 ' CD ' ' A' ' 66' ' ' GLN . 29.4 mt -76.32 -55.19 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -97.35 48.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.57 ' CE1' ' OG1' ' A' ' 69' ' ' THR . 0.0 OUTLIER -107.93 134.47 50.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.26 134.3 49.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.417 ' HE2' ' CA ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -66.11 -171.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 62.33 71.24 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.55 ' CD2' ' CG2' ' A' ' 119' ' ' VAL . 0.2 OUTLIER -37.21 150.48 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.484 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.03 -16.48 20.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -120.48 158.36 27.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -78.02 85.48 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.55 ' CG2' ' CD2' ' A' ' 115' ' ' PHE . 3.7 m -135.58 130.54 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.49 158.31 51.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 127.07 10.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.627 HD13 ' O ' ' A' ' 71' ' ' GLY . 1.2 mp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -37.21 65.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -31.01 71.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.31 -48.34 61.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.252 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.533 HD11 ' HG ' ' A' ' 109' ' ' LEU . 30.1 mt -55.77 -18.64 8.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' ALA . 1.1 mt-30 -86.33 -64.39 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -48.8 -30.46 5.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.552 ' CZ2' ' HG3' ' A' ' 52' ' ' GLU . 2.9 m0 -70.54 -63.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 108.031 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.25 -19.72 47.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 17' ' ' GLN . . . -76.94 -24.57 52.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -77.4 -59.15 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.897 HD11 ' HG ' ' A' ' 98' ' ' LEU . 32.8 tp -53.94 -59.16 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -40.33 -52.86 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -61.79 -48.4 80.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.538 ' HA3' ' CE1' ' A' ' 42' ' ' TYR . . . -45.01 -30.39 2.46 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.504 ' HB2' ' HD2' ' A' ' 99' ' ' LYS . . . -79.73 -44.17 21.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 32' ' ' TRP . 1.2 m-20 -54.57 -35.08 62.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -73.11 -54.92 7.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -50.32 -58.69 5.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -38.95 -67.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.0 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CD2' ' O ' ' A' ' 28' ' ' ASP . 9.8 m0 -51.47 -71.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.25 43.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 10.6 mm100 -113.04 71.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.42 -51.27 70.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -48.56 -68.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.48 -38.25 63.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -59.8 -57.23 13.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.726 HG13 HD12 ' A' ' 84' ' ' LEU . 7.6 mt -53.02 -60.45 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.418 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -47.09 -54.33 10.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -48.1 -48.45 33.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.538 ' CE1' ' HA3' ' A' ' 26' ' ' GLY . 20.4 m-85 -66.95 -63.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 40.3 mt-30 -42.8 -61.6 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.58 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.3 mp -41.45 -54.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.523 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 7.0 tp -61.82 -42.79 99.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.49 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -53.75 -45.98 70.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -63.04 -43.4 98.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 16.1 m170 -58.71 -51.68 68.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 105' ' ' LEU . 63.5 mt -42.71 -40.93 2.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.547 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 10.4 mt-30 -63.25 -52.47 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -29.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.552 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 11.9 mm-40 -96.34 -29.98 13.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -76.74 -64.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' GLN . 4.9 pt20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.448 0.166 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.515 HG23 ' HG2' ' A' ' 65' ' ' GLU . 1.7 t -65.55 174.65 2.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.375 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.439 ' N ' ' OG1' ' A' ' 63' ' ' THR . 2.4 tt0 -63.05 -52.58 62.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 63' ' ' THR . 9.9 pt-20 -53.67 -22.52 9.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.468 ' HG3' ' CG2' ' A' ' 63' ' ' THR . 79.7 mt-30 -80.38 -68.79 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -44.83 -41.78 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -48.37 -48.33 36.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.712 HG22 HD11 ' A' ' 108' ' ' ILE . 1.2 m -73.2 -54.85 7.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.5 ' HA ' HD12 ' A' ' 73' ' ' ILE . 86.9 mt -41.43 -49.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.38 -40.69 94.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -61.52 -40.88 96.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.923 HD13 ' HG ' ' A' ' 105' ' ' LEU . 97.1 mt -50.55 -52.86 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -53.44 -55.79 22.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.581 HG21 ' HB ' ' A' ' 119' ' ' VAL . 0.9 OUTLIER -38.29 -53.5 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 110.381 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 93' ' ' PHE . 92.1 m -52.61 -52.06 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 108.288 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.49 HD12 ' CA ' ' A' ' 46' ' ' ALA . 14.8 mt -44.13 -59.45 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -42.45 -27.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 76' ' ' CYS . 23.1 mt -79.88 -55.62 4.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.483 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 21.0 tpt180 -52.35 -60.31 3.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.576 ' HB3' HG23 ' A' ' 39' ' ' ILE . 70.9 m -44.01 -59.52 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.047 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.51 -51.31 65.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -41.22 -38.08 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.726 HD12 HG13 ' A' ' 39' ' ' ILE . 16.4 mt -69.8 -53.47 18.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -55.49 -39.51 70.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.493 0.187 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.413 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -108.75 -169.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.64 HD12 HD23 ' A' ' 98' ' ' LEU . 15.0 tp -79.93 -54.35 5.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 0.6 OUTLIER -51.16 -31.97 21.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.437 ' N ' ' HG3' ' A' ' 96' ' ' GLU . 65.0 m-20 -78.82 -28.53 44.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.897 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -79.06 -45.47 20.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.504 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -64.37 -12.19 40.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.465 ' HD2' ' CG ' ' A' ' 116' ' ' PRO . 0.1 OUTLIER -69.1 -10.54 58.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.506 HD11 ' CB ' ' A' ' 76' ' ' CYS . 11.8 mt -104.82 5.62 33.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.563 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -75.1 -49.48 4.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.02 -34.89 3.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 107' ' ' ASN . 14.6 mt -58.13 -61.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.923 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.9 mt -42.51 -36.22 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -45.91 32.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' TYR . 2.3 m120 -89.93 33.85 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.712 HD11 HG22 ' A' ' 69' ' ' THR . 1.0 OUTLIER -77.54 -32.35 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.533 ' HG ' HD11 ' A' ' 16' ' ' LEU . 26.3 mt -60.06 -51.13 70.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.551 HG23 ' N ' ' A' ' 111' ' ' TYR . 9.0 t -91.23 -55.96 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.438 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.616 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 7.1 t80 45.05 -176.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 113' ' ' LYS . 0.7 OUTLIER -168.45 33.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.5 OUTLIER 39.25 -157.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.81 34.53 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.499 ' HZ ' HD22 ' A' ' 101' ' ' LEU . 0.5 OUTLIER -39.55 147.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.537 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.5 Cg_endo -74.98 -2.13 12.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.537 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 46.0 m-85 -133.93 147.48 51.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -89.75 52.64 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.581 ' HB ' HG21 ' A' ' 75' ' ' THR . 7.2 m -91.35 162.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.18 157.84 33.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 129.75 12.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.4 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 37.3 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -52.34 -57.7 8.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.98 -33.9 11.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.657 HD13 ' CH2' ' A' ' 19' ' ' TRP . 1.5 mt -70.83 -57.09 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.8 mt -54.66 -19.63 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -93.41 -60.02 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -51.79 -32.48 31.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.657 ' CH2' HD13 ' A' ' 15' ' ' LEU . 8.4 m0 -67.1 -65.0 0.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.86 -26.49 4.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.55 -41.34 84.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -59.8 -64.21 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.793 HD11 ' HG ' ' A' ' 98' ' ' LEU . 24.2 tp -47.85 -55.15 10.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -42.81 -50.31 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.52 -47.01 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.8 -26.09 7.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.42 -40.04 14.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.28 -43.08 87.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 25.1 m-85 -62.87 -57.3 11.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.0 -54.92 11.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -43.04 -70.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -47.05 -72.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 108.018 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.43 43.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 14.1 mm100 -115.68 72.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.503 HD23 ' N ' ' A' ' 35' ' ' LEU . 3.8 mt -63.75 -52.25 61.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.2 t -50.1 -57.69 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.577 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.8 mt-10 -62.17 -35.42 78.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -61.09 -63.57 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.619 HG13 HD12 ' A' ' 84' ' ' LEU . 4.2 mt -44.12 -54.84 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.1 t70 -41.92 -53.04 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -52.05 -65.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.515 ' CE1' HD21 ' A' ' 98' ' ' LEU . 22.3 m-30 -45.96 -62.76 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.635 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 38.8 mt-30 -45.77 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.413 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -41.44 -61.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.412 ' N ' HG22 ' A' ' 44' ' ' ILE . 15.3 tp -51.38 -36.3 42.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -63.1 -42.82 99.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.47 ' HE ' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -60.26 -46.13 90.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -57.79 -54.48 46.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 109.627 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.531 ' CD2' HG23 ' A' ' 70' ' ' ILE . 93.3 mt -41.8 -46.53 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.63 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 17.0 mt-30 -59.97 -51.4 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.34 -32.07 1.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -96.69 -26.24 15.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.63 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -79.27 -73.08 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.413 ' HA ' ' OE1' ' A' ' 66' ' ' GLN . 67.7 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.508 0.194 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.1 t -98.16 158.06 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HA ' ' CG ' ' A' ' 67' ' ' LYS . 16.1 mt-10 -39.91 -40.93 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -62.21 -50.18 72.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.634 ' NE2' HD23 ' A' ' 109' ' ' LEU . 31.2 mt-30 -61.8 -65.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.626 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -46.17 -45.53 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 67' ' ' LYS . 4.7 mmtm -40.1 -66.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.616 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 17.5 m -54.77 -55.66 27.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.448 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.656 ' HA ' HD12 ' A' ' 73' ' ' ILE . 27.5 mt -38.97 -47.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.414 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -64.36 -43.89 96.19 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' THR . 25.7 mttt -60.96 -46.46 90.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.792 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.946 HD13 ' HG ' ' A' ' 105' ' ' LEU . 46.0 mt -49.54 -53.46 9.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -51.33 -58.63 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.495 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 1.3 m -38.5 -50.15 1.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.812 ' SG ' HG11 ' A' ' 119' ' ' VAL . 99.0 m -55.42 -53.36 57.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.528 HD12 ' CA ' ' A' ' 46' ' ' ALA . 10.0 mt -41.94 -62.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -38.99 -33.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 76' ' ' CYS . 23.9 mt -73.14 -57.68 3.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.677 ' NH2' HD13 ' A' ' 95' ' ' LEU . 29.8 tpt180 -46.73 -67.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.581 ' HB3' HG23 ' A' ' 39' ' ' ILE . 68.9 m -44.77 -66.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -43.04 -55.37 3.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -41.82 -46.5 3.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.619 HD12 HG13 ' A' ' 39' ' ' ILE . 9.2 mt -61.72 -54.06 47.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.409 ' NE2' ' HB3' ' A' ' 81' ' ' SER . 9.6 mt-30 -52.57 -47.23 66.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.497 0.189 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -107.72 -169.86 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.677 HD13 ' NH2' ' A' ' 80' ' ' ARG . 13.5 tp -78.04 -54.69 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 9.1 pt-20 -48.65 -40.02 26.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 96' ' ' GLU . 55.3 m-20 -72.17 -28.99 63.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.793 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -78.06 -50.02 12.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -20.0 4.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -8.98 38.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.663 HD23 HD12 ' A' ' 104' ' ' ILE . 98.2 mt -94.78 -3.81 48.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.543 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -71.17 -49.29 12.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.5 Cg_endo -74.99 -29.03 8.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.663 HD12 HD23 ' A' ' 101' ' ' LEU . 18.3 mt -63.46 -70.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.946 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.1 mt -42.62 -32.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -46.52 19.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 104' ' ' ILE . 5.3 m-80 -88.39 22.45 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -51.82 -51.08 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.634 HD23 ' NE2' ' A' ' 66' ' ' GLN . 30.8 mt -62.49 -42.65 99.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.437 HG23 ' OD1' ' A' ' 107' ' ' ASN . 1.4 t -96.98 46.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.616 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 45.6 t80 -108.12 120.53 42.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 113' ' ' LYS . 3.3 m-20 -100.13 44.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.609 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.6 OUTLIER 43.44 -166.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 3.9 tt0 82.59 48.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.602 ' CD1' ' OH ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -46.02 143.95 3.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.571 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -74.98 -12.04 21.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 19.8 m-85 -125.25 152.31 44.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -78.57 91.82 4.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.812 HG11 ' SG ' ' A' ' 76' ' ' CYS . 4.4 m -139.3 132.07 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.07 156.67 43.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 132.47 15.47 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.481 1.78 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.495 ' CD1' ' OG1' ' A' ' 75' ' ' THR . 2.3 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.56 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 98.4 m . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -54.83 -47.78 73.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 t -59.05 -30.85 68.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.751 HD13 ' CH2' ' A' ' 19' ' ' TRP . 1.4 mt -64.99 -53.14 50.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.48 -16.17 22.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -92.84 -56.41 3.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.44 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -56.99 -34.15 67.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.751 ' CH2' HD13 ' A' ' 15' ' ' LEU . 8.0 m0 -64.98 -62.68 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 108.041 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.4 -33.2 24.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.1 50.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.405 ' HB2' HD22 ' A' ' 45' ' ' LEU . 38.9 m -48.4 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.689 HD23 ' HB2' ' A' ' 102' ' ' GLU . 42.3 tp -41.19 -54.21 2.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.58 -61.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.46 ' CG ' ' OD2' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -56.13 -51.89 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.43 -29.0 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . -83.13 -48.76 10.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.46 ' OD2' ' CG ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -46.33 -39.88 10.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -67.01 -62.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.19 -56.44 6.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.88 -58.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -64.39 -49.47 71.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 108.026 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.06 44.31 0.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.426 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 9.5 mm100 -111.95 72.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.245 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.415 ' O ' HD12 ' A' ' 39' ' ' ILE . 8.2 mt -62.28 -51.17 68.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.6 t -47.75 -66.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.3 -43.15 74.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -54.88 -57.92 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.73 HG23 ' HB3' ' A' ' 81' ' ' SER . 6.1 mt -45.82 -57.66 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -55.79 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -49.0 -66.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -47.19 -58.87 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 111.026 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.681 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 46.7 mt-30 -47.41 -66.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 45' ' ' LEU . 1.3 mp -41.33 -62.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.486 ' N ' HG22 ' A' ' 44' ' ' ILE . 27.3 tp -49.1 -36.89 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -61.32 -52.78 63.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -51.75 -49.32 62.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' LEU . 94.8 m-70 -52.65 -57.54 9.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 109.625 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.703 HD13 ' HB ' ' A' ' 73' ' ' ILE . 24.4 mt -40.34 -47.3 2.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.593 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 52.5 mt-30 -57.23 -50.76 71.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 50' ' ' GLN . 2.5 tptt -40.15 -30.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 50' ' ' GLN . 7.1 mm-40 -96.17 -36.35 10.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -67.41 -64.26 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 2.9 pt20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CZ ' HG23 ' A' ' 12' ' ' THR . 60.1 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.504 0.192 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.545 HG22 ' CD ' ' A' ' 66' ' ' GLN . 9.0 t -80.91 158.87 25.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' THR . 2.2 tt0 -39.04 -54.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' GLN . 66.8 mt-10 -52.42 -62.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.67 ' NE2' HD23 ' A' ' 109' ' ' LEU . 1.4 mt-30 -38.41 -67.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 64' ' ' GLU . 6.0 ptmm? -51.52 -40.76 60.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.9 -66.24 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.544 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.0 OUTLIER -55.05 -49.98 70.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.663 HG23 HD22 ' A' ' 49' ' ' LEU . 43.8 mt -40.39 -48.52 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -63.61 -57.71 13.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -41.76 -48.73 4.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.703 ' HB ' HD13 ' A' ' 49' ' ' LEU . 79.0 mt -47.39 -55.41 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.629 ' HB3' ' CD1' ' A' ' 122' ' ' ILE . . . -50.38 -57.69 7.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -40.55 -52.71 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.793 ' SG ' HG11 ' A' ' 119' ' ' VAL . 7.1 m -53.33 -51.2 63.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.326 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' A' ' 46' ' ' ALA . 15.9 mt -45.54 -58.44 3.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -42.91 -29.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.0 mt -76.37 -48.75 18.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.412 ' NH2' ' HB2' ' A' ' 95' ' ' LEU . 28.0 tpt180 -59.25 -67.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.73 ' HB3' HG23 ' A' ' 39' ' ' ILE . 73.2 m -40.25 -53.75 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.95 -51.9 66.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.23 -34.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.607 HD12 HG13 ' A' ' 39' ' ' ILE . 31.4 mt -72.56 -52.46 15.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -55.64 -40.25 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.586 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.509 0.195 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -105.95 -170.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.546 HD12 ' CD2' ' A' ' 98' ' ' LEU . 39.7 tp -80.43 -53.06 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 6.3 pt-20 -50.43 -53.87 26.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.476 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 67.3 m-20 -50.77 -32.91 21.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.682 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -74.87 -47.27 31.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.491 ' CD ' ' HG ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -57.87 -16.58 12.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -75.77 -1.86 27.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.565 HD22 ' HZ ' ' A' ' 115' ' ' PHE . 34.2 mt -102.57 -0.46 32.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.689 ' HB2' HD23 ' A' ' 23' ' ' LEU . 1.2 tt0 -74.35 -51.72 4.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -74.99 -29.16 8.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 111.04 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.491 HG23 ' CD1' ' A' ' 111' ' ' TYR . 20.6 mt -61.88 -42.2 93.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.633 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.8 mt -73.24 -33.91 65.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -69.53 -52.1 29.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 111' ' ' TYR . 65.4 m-20 -91.99 30.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -50.39 -49.39 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.67 HD23 ' NE2' ' A' ' 66' ' ' GLN . 29.7 mt -61.05 -47.03 88.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 t -106.29 52.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.544 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 0.7 OUTLIER -111.01 132.22 54.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.36 115.26 11.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.455 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -53.25 -173.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 115' ' ' PHE . 2.9 mt-10 67.19 66.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.343 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.565 ' HZ ' HD22 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -36.94 149.03 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.522 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.3 Cg_endo -75.04 -26.3 10.98 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.611 ' O ' HG22 ' A' ' 119' ' ' VAL . 83.0 m-85 -105.15 143.67 33.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.33 80.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.793 HG11 ' SG ' ' A' ' 76' ' ' CYS . 9.2 m -136.67 134.55 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -97.13 159.39 31.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 132.28 15.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.426 1.751 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.629 ' CD1' ' HB3' ' A' ' 74' ' ' ALA . 3.2 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.4 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -52.17 -37.61 55.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -34.83 68.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HG ' ' CZ3' ' A' ' 19' ' ' TRP . 7.6 tp -66.68 -67.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.511 ' CD1' HD11 ' A' ' 109' ' ' LEU . 90.9 mt -39.74 -29.78 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' LEU . 1.6 tt0 -83.86 -69.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.2 OUTLIER -40.51 -28.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.452 ' CZ3' ' HG ' ' A' ' 15' ' ' LEU . 6.1 m0 -69.98 -66.05 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 107.973 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.53 -35.66 29.69 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.28 -28.19 66.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.97 -43.97 32.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.812 HD11 ' HG ' ' A' ' 98' ' ' LEU . 21.1 tp -69.43 -53.37 19.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -28.29 35.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 -43.59 10.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.23 -18.72 21.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.22 -36.54 19.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.56 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . 61.7 m-20 -50.73 -44.06 58.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.529 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 26.1 m-85 -59.08 -60.48 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.6 OUTLIER -43.14 -64.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -39.35 -56.88 1.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.049 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.56 ' CZ2' ' HB3' ' A' ' 28' ' ' ASP . 16.5 m0 -61.87 -74.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 156.11 43.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -115.7 63.74 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 0.767 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.434 HD23 ' N ' ' A' ' 35' ' ' LEU . 6.1 mt -52.06 -53.04 46.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -45.28 -67.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.529 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.4 mt-10 -51.1 -43.8 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -52.73 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.618 HG13 HD12 ' A' ' 84' ' ' LEU . 11.8 mt -40.53 -68.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -41.03 -51.21 3.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -50.29 -57.11 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.518 ' CE1' HD21 ' A' ' 98' ' ' LEU . 21.1 m-85 -58.46 -51.53 69.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.407 ' NE2' ' CG2' ' A' ' 39' ' ' ILE . 84.0 mt-30 -52.83 -59.37 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.589 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.4 mp -44.74 -53.99 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.07 -42.85 91.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.579 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -58.89 -50.95 72.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -54.01 -47.44 71.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 13.7 m170 -54.37 -52.59 61.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD22 HG23 ' A' ' 70' ' ' ILE . 77.5 mt -40.57 -51.22 2.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.551 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 7.4 mt-30 -52.07 -49.11 64.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLN . 3.8 tptt -40.1 -30.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.571 ' HB2' HG21 ' A' ' 70' ' ' ILE . 17.4 mm-40 -95.82 -38.02 10.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.551 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -66.3 -62.22 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' GLN . 2.8 pt20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.476 0.179 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.664 HG23 ' HG2' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -76.44 156.91 32.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.65 -55.62 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.664 ' HG2' HG23 ' A' ' 63' ' ' THR . 7.6 pt-20 -43.38 -42.01 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.415 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 31.0 mt-30 -70.9 -55.82 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -52.59 -44.5 65.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -44.15 71.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.525 HG22 HD11 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -74.49 -49.06 23.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.571 HG21 ' HB2' ' A' ' 52' ' ' GLU . 58.3 mt -39.83 -43.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.45 -55.01 20.0 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.434 1.084 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -47.69 -42.54 25.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.773 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.855 HD13 ' HG ' ' A' ' 105' ' ' LEU . 68.2 mt -51.44 -41.45 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.609 ' HB3' HD13 ' A' ' 122' ' ' ILE . . . -67.7 -50.57 56.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.439 ' N ' HD13 ' A' ' 122' ' ' ILE . 54.1 m -37.61 -51.27 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.437 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.842 ' HA ' HD22 ' A' ' 79' ' ' LEU . 92.7 m -55.11 -55.4 31.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 108.335 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.579 HD12 ' HB2' ' A' ' 46' ' ' ALA . 7.5 mt -38.2 -62.75 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -39.06 -44.44 1.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.842 HD22 ' HA ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -65.12 -49.53 69.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' A' ' 94' ' ' LYS . 14.4 tpt180 -57.62 -61.26 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.529 ' HB3' HG23 ' A' ' 39' ' ' ILE . 3.6 m -45.02 -49.63 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.25 -51.63 65.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -40.85 -43.94 2.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.618 HD12 HG13 ' A' ' 39' ' ' ILE . 17.8 mt -58.79 -52.23 66.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -58.14 -50.51 73.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.572 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.52 0.2 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.423 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -108.44 -169.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.773 HD23 HD23 ' A' ' 98' ' ' LEU . 1.7 mt -80.99 -51.56 8.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.406 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 8.7 pt-20 -52.04 -46.03 64.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -65.91 -30.49 71.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.812 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.4 tp -73.81 -55.13 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -16.88 17.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.91 -8.02 45.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.925 HD23 HD12 ' A' ' 104' ' ' ILE . 81.0 mt -99.19 -9.52 23.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.642 ' HG2' HD23 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -59.31 -49.37 93.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.01 -34.68 3.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.925 HD12 HD23 ' A' ' 101' ' ' LEU . 66.9 mt -59.76 -49.1 85.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.855 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.6 mt -66.33 -35.05 79.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.15 -57.05 6.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 111' ' ' TYR . 7.1 m-80 -92.54 31.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.525 HD11 HG22 ' A' ' 69' ' ' THR . 0.3 OUTLIER -48.5 -32.53 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.511 HD11 ' CD1' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -76.05 -55.33 5.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.3 t -98.33 45.78 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.541 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 0.3 OUTLIER -105.37 144.27 32.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.958 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.96 113.43 15.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.541 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -60.69 -166.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.7 tm-20 84.18 -44.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.2 OUTLIER 70.94 137.25 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.511 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.4 Cg_endo -74.98 -44.38 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -79.29 -33.02 43.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.34 90.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.764 HG21 ' SG ' ' A' ' 76' ' ' CYS . 3.8 m -127.07 122.55 60.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' VAL . 0.6 OUTLIER -37.92 156.28 0.1 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 149.9 37.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 74' ' ' ALA . 1.2 tp . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.527 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 3.9 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -39.84 69.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.76 -29.85 70.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.75 HD22 ' CE2' ' A' ' 19' ' ' TRP . 5.3 mt -70.17 -68.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' LEU . 43.0 mt -40.5 -29.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 15' ' ' LEU . 1.2 tt0 -86.26 -68.07 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.446 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -44.09 -34.17 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.75 ' CE2' HD22 ' A' ' 15' ' ' LEU . 10.0 m0 -68.66 -64.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.79 -25.41 4.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.05 -36.7 61.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 19' ' ' TRP . 0.6 OUTLIER -62.42 -57.76 10.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.719 HD11 ' HG ' ' A' ' 98' ' ' LEU . 57.7 tp -53.48 -60.58 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.73 -55.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' ASP . 4.2 ttt180 -57.77 -46.87 83.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.13 -32.67 9.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.9 -34.95 59.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.563 ' OD1' ' CZ2' ' A' ' 32' ' ' TRP . 1.8 t0 -51.48 -53.07 41.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.517 ' HB3' ' CB ' ' A' ' 34' ' ' GLN . 62.4 m-85 -62.69 -54.17 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -46.57 -60.81 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.26 -72.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.563 ' CZ2' ' OD1' ' A' ' 28' ' ' ASP . 12.1 m0 -47.03 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.38 43.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.517 ' CB ' ' HB3' ' A' ' 29' ' ' PHE . 11.8 mt-30 -111.18 49.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.741 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.493 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 5.1 mt -39.98 -55.56 2.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.745 HG13 ' H ' ' A' ' 37' ' ' GLU . 1.1 p -40.31 -72.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.745 ' H ' HG13 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -50.64 -44.87 57.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -48.55 -64.18 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 81' ' ' SER . 14.4 mt -45.06 -57.29 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.65 -65.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER -43.22 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.485 ' HE1' HD12 ' A' ' 23' ' ' LEU . 19.3 m-85 -42.49 -65.24 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.588 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 29.6 mt-30 -41.87 -67.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 45' ' ' LEU . 1.1 mp -40.23 -59.7 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 22.7 tp -53.64 -40.02 65.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.646 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -57.67 -46.6 84.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.24 -52.92 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -48.75 -51.32 29.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.52 HD22 HG23 ' A' ' 70' ' ' ILE . 76.8 mt -44.34 -44.58 8.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.524 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 14.9 mt-30 -56.89 -50.58 72.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.97 -28.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.587 ' OE1' ' CD1' ' A' ' 62' ' ' PHE . 2.2 mt-10 -96.0 -35.65 11.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -69.84 -59.07 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' GLN . 3.8 pt20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.587 ' CD1' ' OE1' ' A' ' 52' ' ' GLU . 27.6 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.563 0.22 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.472 HG23 ' H ' ' A' ' 66' ' ' GLN . 10.1 t -72.4 -168.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.441 ' N ' ' OG1' ' A' ' 63' ' ' THR . 4.9 mt-10 -82.33 -42.4 18.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -64.95 -22.33 66.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.472 ' H ' HG23 ' A' ' 63' ' ' THR . 71.6 mt-30 -82.54 -65.87 0.96 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -43.63 3.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -43.59 -64.19 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.02 -50.79 69.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.386 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.618 ' HA ' HD12 ' A' ' 73' ' ' ILE . 18.8 mt -40.21 -46.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.2 -44.28 67.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -58.3 -34.99 71.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.946 HD13 ' HG ' ' A' ' 105' ' ' LEU . 94.8 mt -57.26 -53.44 43.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -56.02 -55.12 36.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.545 ' OG1' HD12 ' A' ' 122' ' ' ILE . 2.7 m -38.58 -52.97 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.911 ' SG ' HG11 ' A' ' 119' ' ' VAL . 88.9 m -52.83 -49.76 65.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 108.287 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.646 HD12 ' HB2' ' A' ' 46' ' ' ALA . 18.3 mt -46.59 -57.09 5.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.86 -25.82 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.288 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 77' ' ' LEU . 19.7 mt -81.36 -54.31 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.425 ' CZ ' HD21 ' A' ' 84' ' ' LEU . 32.3 tpt180 -56.01 -65.43 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.61 ' HB3' HG23 ' A' ' 39' ' ' ILE . 72.6 m -41.6 -53.52 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.82 -49.42 77.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.74 -37.84 14.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.425 HD21 ' CZ ' ' A' ' 80' ' ' ARG . 30.2 mt -68.18 -49.56 60.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.414 ' HG3' ' CD1' ' A' ' 39' ' ' ILE . 17.7 mt-30 -62.54 -50.48 71.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 109.976 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.475 0.178 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.488 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -54.26 -171.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.359 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.475 ' HG ' ' CD ' ' A' ' 99' ' ' LYS . 18.2 tp -80.57 -59.18 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.488 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 12.5 pt-20 -45.64 -44.4 13.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.487 ' CG ' ' CE1' ' A' ' 117' ' ' PHE . 18.7 m-20 -55.49 -35.01 65.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.719 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -74.67 -51.37 14.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.475 ' CD ' ' HG ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -53.47 -21.21 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 96' ' ' GLU . 11.1 mmtt -69.33 -8.28 44.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.518 HD22 ' HZ ' ' A' ' 115' ' ' PHE . 27.8 mt -98.93 0.41 43.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -73.83 -49.74 5.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -74.99 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.661 HG23 ' CD1' ' A' ' 111' ' ' TYR . 82.2 mt -47.1 -40.74 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.946 ' HG ' HD13 ' A' ' 73' ' ' ILE . 3.9 mt -69.76 -33.74 72.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' PRO . 22.5 mtmt -73.58 -50.78 19.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 111' ' ' TYR . 59.4 m-80 -90.27 31.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -34.11 39.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.98 -44.21 63.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.9 t -115.18 54.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.661 ' CD1' HG23 ' A' ' 104' ' ' ILE . 1.0 OUTLIER -107.91 135.34 49.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 113' ' ' LYS . 1.2 m-20 -76.91 117.1 18.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.451 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -55.01 -169.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' PHE . 0.4 OUTLIER 67.03 62.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.235 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.518 ' HZ ' HD22 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -36.91 148.36 0.19 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.51 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -74.99 -25.23 12.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.487 1.783 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.487 ' CE1' ' CG ' ' A' ' 97' ' ' ASP . 61.5 m-85 -111.52 142.82 43.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.86 90.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.911 HG11 ' SG ' ' A' ' 76' ' ' CYS . 32.7 m -132.76 138.3 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.27 159.1 48.35 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 142.75 28.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.545 HD12 ' OG1' ' A' ' 75' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.898 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 31.7 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -67.83 -33.42 74.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.2 t -79.04 -23.41 44.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.974 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.697 HD13 ' CH2' ' A' ' 19' ' ' TRP . 1.9 mt -71.43 -57.09 4.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.748 HD22 ' O ' ' A' ' 105' ' ' LEU . 56.9 mt -49.61 -26.19 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -84.9 -70.54 0.57 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.453 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -41.36 -33.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.697 ' CH2' HD13 ' A' ' 15' ' ' LEU . 5.9 m0 -68.58 -66.0 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.48 -30.11 8.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -34.27 76.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' TRP . 0.4 OUTLIER -64.88 -61.82 1.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.746 HD11 ' HG ' ' A' ' 98' ' ' LEU . 56.7 tp -51.64 -58.43 6.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -37.87 -47.55 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -65.61 -48.46 72.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -46.94 -28.39 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.0 -37.05 40.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -64.84 -41.0 96.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.585 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 15.7 m-85 -68.02 -56.54 8.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.409 ' OD2' ' NH2' ' A' ' 80' ' ' ARG . 10.2 t70 -53.36 -60.5 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -41.47 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.502 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 27.2 m0 -44.68 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 108.051 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.95 43.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -115.37 45.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 34' ' ' GLN . 4.1 mt -36.45 -43.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -54.21 -63.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.585 ' OE1' ' CZ ' ' A' ' 29' ' ' PHE . 6.7 mt-10 -57.57 -36.66 71.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.68 -57.2 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.765 HG13 HD12 ' A' ' 84' ' ' LEU . 43.6 mt -52.12 -67.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.418 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -40.13 -53.0 2.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.604 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 6.1 tm-20 -49.35 -62.29 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.604 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 20.7 m-85 -53.02 -53.44 50.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.534 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 95.5 mt-30 -48.7 -60.45 2.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.418 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 1.2 mp -46.02 -61.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.532 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 21.2 tp -50.64 -40.72 53.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -59.21 -52.07 67.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -50.88 65.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.402 ' CD2' HG23 ' A' ' 44' ' ' ILE . 91.2 m-70 -52.56 -54.98 25.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.631 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.619 HD22 HG23 ' A' ' 70' ' ' ILE . 76.6 mt -40.73 -36.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.525 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 32.3 mt-30 -69.16 -52.95 22.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -42.0 -28.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 50' ' ' GLN . 57.5 mm-40 -95.86 -35.09 11.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.525 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -68.86 -67.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 3.3 pt20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.898 ' CZ ' HG23 ' A' ' 12' ' ' THR . 78.1 m-85 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.516 0.198 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' GLU . 8.8 t -83.41 159.38 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' THR . 3.0 mt-10 -38.57 -58.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -46.21 -54.3 9.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -50.91 -68.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -48.11 -29.22 3.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -62.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.605 HG22 HD11 ' A' ' 108' ' ' ILE . 1.7 m -58.62 -50.58 73.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.619 HG23 HD22 ' A' ' 49' ' ' LEU . 37.5 mt -44.35 -49.23 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.78 -29.92 74.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' THR . 43.2 mttt -72.26 -35.95 68.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.908 HD13 ' HG ' ' A' ' 105' ' ' LEU . 79.4 mt -59.33 -43.91 91.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.495 ' HB3' HD13 ' A' ' 122' ' ' ILE . . . -55.93 -54.86 39.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.556 ' OG1' HD12 ' A' ' 122' ' ' ILE . 1.3 m -37.64 -61.31 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.61 ' SG ' HG21 ' A' ' 119' ' ' VAL . 57.7 m -44.62 -59.33 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 46' ' ' ALA . 5.6 mt -35.48 -62.74 0.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 77' ' ' LEU . 1.4 mm-40 -37.67 -49.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.533 ' N ' HD13 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -58.28 -58.26 9.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.465 ' NE ' HD21 ' A' ' 84' ' ' LEU . 15.9 tpt180 -50.39 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.352 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.728 ' HB3' HG23 ' A' ' 39' ' ' ILE . 20.7 m -39.91 -38.76 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.2 -45.31 27.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' ARG . . . -43.34 -45.66 6.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.765 HD12 HG13 ' A' ' 39' ' ' ILE . 14.2 mt -60.03 -54.33 47.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -57.99 -51.88 67.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.502 0.191 . . . . 0.0 111.011 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 -167.65 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.699 HD23 HD23 ' A' ' 98' ' ' LEU . 1.3 mt -82.61 -43.23 17.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.44 -49.86 75.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 84.5 m-20 -61.17 -30.49 70.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.746 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.0 tp -74.64 -58.62 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -20.63 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.52 -9.22 47.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.9 mt -98.16 -9.07 26.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.533 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -62.59 -50.2 79.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.5 Cg_endo -74.94 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 108' ' ' ILE . 12.4 mt -41.82 -61.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.908 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.9 mt -42.97 -38.15 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 103' ' ' PRO . 1.1 mtmt -77.75 -40.3 41.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 104' ' ' ILE . 57.8 m-80 -89.59 23.35 2.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.605 HD11 HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -59.89 -39.16 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.61 -52.38 57.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.7 t -88.31 44.79 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.587 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 33.6 t80 -103.59 116.39 32.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 40.0 p30 -92.07 35.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.587 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 6.1 mttt 53.07 -174.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 3.3 tt0 82.03 80.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.566 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.3 OUTLIER -68.84 140.67 91.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.5 Cg_endo -74.93 -0.44 9.94 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 97' ' ' ASP . 77.3 m-85 -138.67 146.68 41.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -76.58 93.83 3.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.61 HG21 ' SG ' ' A' ' 76' ' ' CYS . 33.7 m -146.53 114.39 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -71.88 161.27 79.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.61 37.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.45 1.763 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.556 HD12 ' OG1' ' A' ' 75' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.475 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 7.6 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -40.24 71.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -70.11 -27.36 64.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.49 HD13 ' CH2' ' A' ' 19' ' ' TRP . 0.4 OUTLIER -63.32 -47.6 81.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 105' ' ' LEU . 95.2 mt -64.84 -39.86 94.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -49.93 -31.55 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -81.02 -49.71 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.562 ' HB3' HD13 ' A' ' 105' ' ' LEU . 32.9 m0 -65.74 -13.03 58.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' LEU . . . -98.23 -32.19 6.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.87 -14.0 56.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.733 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.72 -55.62 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.73 HD11 ' HG ' ' A' ' 98' ' ' LEU . 56.3 tp -52.45 -59.24 4.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -41.24 -56.19 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' ASP . 6.2 ttt180 -55.59 -53.88 51.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.31 -44.44 2.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.68 73.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.559 ' CG ' ' CZ2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -41.13 -50.47 3.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 37' ' ' GLU . 94.2 m-85 -60.22 -53.71 54.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.436 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -46.43 -64.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.72 -62.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.559 ' CZ2' ' CG ' ' A' ' 28' ' ' ASP . 15.5 m0 -55.51 -75.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.013 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 154.01 43.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -113.64 59.97 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 9.3 mt -47.47 -56.51 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.733 HG13 ' H ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -40.96 -72.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.733 ' H ' HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -48.49 -40.86 28.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.168 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -56.58 -59.46 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.673 HG23 ' HB3' ' A' ' 81' ' ' SER . 7.7 mt -46.14 -68.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -39.58 -57.23 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.531 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 10.9 tm-20 -45.34 -63.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.531 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 15.7 m-85 -51.59 -55.85 16.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -50.12 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -40.25 -49.76 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 tp -64.08 -47.13 81.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -51.7 -47.0 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -49.16 78.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -52.99 -46.1 68.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.58 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.653 HD13 ' HB ' ' A' ' 73' ' ' ILE . 24.0 mt -52.64 -47.35 67.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.51 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 33.4 mt-30 -59.91 -49.23 78.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.29 -28.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 15.5 mm-40 -95.87 -36.01 11.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -69.0 -62.46 1.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLN . 8.1 pt20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.475 ' CZ ' HG23 ' A' ' 12' ' ' THR . 88.3 m-85 . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.52 0.2 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.468 HG22 ' OE1' ' A' ' 66' ' ' GLN . 10.2 t -109.34 162.73 14.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -42.55 -42.86 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.254 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.429 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 4.8 mm-40 -55.8 -58.72 6.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.468 ' OE1' HG22 ' A' ' 63' ' ' THR . 1.1 mp0 -61.13 -50.95 71.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 70' ' ' ILE . 3.1 mtpm? -56.61 -35.61 68.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -56.83 -42.56 79.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.86 -43.23 62.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.559 ' HA ' HD12 ' A' ' 73' ' ' ILE . 40.2 mt -42.4 -44.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 74' ' ' ALA . . . -63.62 -57.77 13.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.717 ' HG2' HG23 ' A' ' 119' ' ' VAL . 24.1 mttt -42.69 -40.63 2.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.9 HD13 ' HG ' ' A' ' 105' ' ' LEU . 69.5 mt -57.99 -50.0 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.46 ' HB3' HD13 ' A' ' 122' ' ' ILE . . . -56.03 -54.92 39.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' ALA . 1.2 m -37.31 -61.9 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.596 ' SG ' ' CZ ' ' A' ' 93' ' ' PHE . 74.1 m -44.53 -57.15 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 108.261 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.604 HD12 ' HB2' ' A' ' 46' ' ' ALA . 7.4 mt -38.73 -60.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.23 -48.58 3.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.666 ' N ' HD13 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.0 -52.42 65.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -57.98 -62.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.673 ' HB3' HG23 ' A' ' 39' ' ' ILE . 52.3 m -44.65 -47.45 10.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.45 -51.26 61.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.04 -50.34 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.7 mt -54.3 -51.78 63.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -56.06 -52.55 63.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.618 ' CZ ' ' CG ' ' A' ' 97' ' ' ASP . 1.4 t80 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.458 0.171 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.89 -168.45 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.839 HD23 HD23 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -92.76 -41.59 10.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -41.78 80.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.23 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.628 ' OD1' ' CE2' ' A' ' 117' ' ' PHE . 59.7 t0 -69.22 -33.53 73.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.839 HD23 HD23 ' A' ' 95' ' ' LEU . 3.4 tp -69.15 -58.14 4.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -21.75 8.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -8.69 51.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.633 HD23 HD12 ' A' ' 104' ' ' ILE . 44.3 mt -98.31 -5.13 33.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.669 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -63.65 -48.71 79.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.0 -46.37 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.738 HG23 ' CD2' ' A' ' 111' ' ' TYR . 90.7 mt -46.51 -38.83 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.9 ' HG ' HD13 ' A' ' 73' ' ' ILE . 3.9 mt -75.15 -34.28 61.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' PRO . 47.0 mtpt -67.85 -59.05 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 111' ' ' TYR . 83.2 m-20 -88.31 38.53 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.43 HG21 ' CE1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -57.54 -47.1 85.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.419 HD21 HG21 ' A' ' 12' ' ' THR . 1.7 mt -59.16 -47.03 86.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 t -109.34 51.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.433 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.738 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.2 OUTLIER -104.14 132.49 50.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -72.2 119.08 15.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -56.65 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 115' ' ' PHE . 1.2 mm-40 63.93 68.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 0.3 OUTLIER -36.59 144.42 0.27 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 115' ' ' PHE . 18.4 Cg_endo -74.97 -26.05 11.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.628 ' CE2' ' OD1' ' A' ' 97' ' ' ASP . 92.3 m-85 -106.75 151.85 24.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -86.83 88.76 7.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.717 HG23 ' HG2' ' A' ' 72' ' ' LYS . 15.5 m -135.55 122.45 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.47 128.29 91.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 158.5 42.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.46 HD13 ' HB3' ' A' ' 74' ' ' ALA . 1.1 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.413 -0.218 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -54.78 -31.4 58.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -25.5 60.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 15' ' ' LEU . 6.9 mt -72.84 -68.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.451 HD22 ' O ' ' A' ' 105' ' ' LEU . 20.9 mt -40.56 -29.02 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 15' ' ' LEU . 1.8 tt0 -80.62 -65.08 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.15 -33.31 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.922 ' HB3' HD13 ' A' ' 105' ' ' LEU . 4.4 m0 -68.11 -66.6 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 108.007 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.03 -30.11 2.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.82 84.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' TRP . 3.9 m -51.4 -63.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.957 HD23 ' HB2' ' A' ' 102' ' ' GLU . 40.7 tp -48.84 -57.28 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -40.86 -50.99 3.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -46.67 75.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.71 -24.96 34.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.34 -42.67 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.743 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . 7.2 m-20 -54.97 -46.32 75.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 9.7 m-85 -60.52 -54.7 42.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.598 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -50.11 -61.11 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -39.13 -67.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.442 ' CZ2' ' HB3' ' A' ' 28' ' ' ASP . 9.9 m0 -47.33 -72.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 107.973 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.18 42.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.103 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 12.9 mm100 -118.15 72.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.47 -51.35 60.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.1 t -51.21 -60.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.57 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.2 mt-10 -56.74 -41.33 77.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -55.05 -58.97 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.775 HG23 ' HB3' ' A' ' 81' ' ' SER . 12.3 mt -43.82 -59.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.465 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.3 t70 -40.52 -51.32 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -52.27 -67.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.553 ' HE2' HD11 ' A' ' 84' ' ' LEU . 22.9 m-85 -45.86 -61.81 1.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.444 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 40.0 mt-30 -44.34 -62.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.581 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.1 mp -45.35 -50.08 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.517 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 48.2 tp -61.8 -38.47 88.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -60.55 -49.2 78.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -48.93 79.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 12.3 m170 -53.22 -55.15 26.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.563 HD13 ' HB ' ' A' ' 73' ' ' ILE . 70.7 mt -41.77 -38.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.557 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 12.0 mt-30 -62.67 -55.25 28.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -41.69 -28.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.542 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 66.3 mm-40 -96.64 -35.08 11.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.557 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -66.16 -40.25 90.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.419 ' HB3' ' CB ' ' A' ' 66' ' ' GLN . 88.9 m-85 . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.515 0.197 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' GLU . 9.0 t -101.06 163.09 12.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -38.88 -58.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -45.41 -61.11 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.495 ' HG2' HG23 ' A' ' 108' ' ' ILE . 3.7 mt-30 -43.61 -49.73 7.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -59.45 -48.22 82.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -47.19 -60.55 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.578 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.1 m -60.19 -56.02 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.491 HG23 HD22 ' A' ' 49' ' ' LEU . 35.1 mt -40.59 -50.71 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.518 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -67.65 -48.25 57.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HB3' HG23 ' A' ' 119' ' ' VAL . 60.9 mttt -49.92 -42.6 48.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.734 HD13 ' HG ' ' A' ' 105' ' ' LEU . 92.7 mt -52.99 -51.16 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB3' ' CD1' ' A' ' 122' ' ' ILE . . . -54.56 -53.13 58.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 m -43.04 -45.57 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.754 ' SG ' HG11 ' A' ' 119' ' ' VAL . 61.2 m -61.98 -48.68 79.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.521 HD12 ' CA ' ' A' ' 46' ' ' ALA . 18.5 mt -45.22 -57.61 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -43.8 -26.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 77' ' ' LEU . 24.5 mt -79.19 -52.95 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.712 ' NE ' HD21 ' A' ' 84' ' ' LEU . 25.3 tpt180 -56.2 -65.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.775 ' HB3' HG23 ' A' ' 39' ' ' ILE . 61.6 m -39.37 -51.59 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.67 -43.2 94.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -49.91 -35.71 24.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.721 HD12 HG13 ' A' ' 39' ' ' ILE . 14.1 mt -69.79 -52.12 27.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -51.1 -44.04 61.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.148 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.559 0.218 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.94 -169.42 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.916 HD23 HD23 ' A' ' 98' ' ' LEU . 0.6 OUTLIER -79.51 -51.75 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.36 -40.43 68.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 69.9 m-20 -66.41 -30.12 70.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.916 HD23 HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -79.24 -43.09 24.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.638 ' CD ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -59.13 -15.38 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -74.42 -2.74 26.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.563 HD13 HG23 ' A' ' 73' ' ' ILE . 29.4 mt -100.69 -1.84 34.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.957 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -77.78 -46.31 2.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.308 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.02 -29.39 8.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.1 mt -64.66 -54.0 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.922 HD13 ' HB3' ' A' ' 19' ' ' TRP . 9.5 mt -56.48 -35.66 68.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.05 -43.04 55.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 103' ' ' PRO . 89.0 m-20 -91.11 25.41 2.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.495 HG23 ' HG2' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -58.04 -50.16 79.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.9 mt -58.44 -49.97 75.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.0 t -89.05 35.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 110.378 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 72.4 t80 -93.07 120.18 33.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -107.18 47.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.6 OUTLIER 49.89 -171.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 2.9 tt0 83.07 87.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.434 ' HZ ' HD22 ' A' ' 101' ' ' LEU . 0.8 OUTLIER -91.56 144.06 29.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.077 . . . . 0.0 110.956 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -1.49 11.31 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 97' ' ' ASP . 82.3 m-85 -136.4 146.21 46.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.61 80.15 8.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.754 HG11 ' SG ' ' A' ' 76' ' ' CYS . 7.9 m -121.97 136.83 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.52 153.08 61.46 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 138.46 23.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 71' ' ' GLY . 1.8 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 1.095 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 6.9 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -67.04 -68.88 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 1.3 m -38.43 -41.89 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.59 HD13 ' CH2' ' A' ' 19' ' ' TRP . 2.0 mt -48.25 -58.32 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.435 ' N ' HD23 ' A' ' 16' ' ' LEU . 6.9 mt -44.12 -26.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.448 ' N ' ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -83.1 -74.21 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.586 ' HG3' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.2 -45.92 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.339 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.601 ' CE3' HD22 ' A' ' 105' ' ' LEU . 5.5 m0 -55.49 -63.02 1.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 108.003 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.0 -27.12 59.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 17' ' ' GLN . . . -71.53 -37.07 71.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 m -57.43 -65.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.941 HD23 ' HB2' ' A' ' 102' ' ' GLU . 15.6 tp -44.42 -57.0 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.15 -65.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -50.37 -36.66 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.33 96.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.6 97.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 0.797 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.12 -43.56 7.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' GLY . 25.4 m-85 -64.8 -63.24 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.798 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -39.87 -61.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.254 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.56 -59.53 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.9 m0 -59.89 -75.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.035 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 156.6 43.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' A' ' 37' ' ' GLU . 6.5 mm100 -112.53 67.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 35' ' ' LEU . 2.2 mt -54.36 -51.44 64.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -44.59 -69.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.444 ' OE1' ' NE2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -51.14 -44.84 61.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -49.88 -57.72 6.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.568 HG13 HD12 ' A' ' 84' ' ' LEU . 9.3 mt -50.58 -61.85 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -41.8 -59.51 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 13.4 tm-20 -47.11 -68.82 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.598 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 18.9 m-85 -42.71 -58.44 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.572 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 63.3 mt-30 -48.49 -59.12 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.434 HG23 ' NE2' ' A' ' 48' ' ' HIS . 1.2 mp -45.42 -56.53 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 63.0 tp -56.31 -35.99 68.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.581 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -61.99 -49.26 76.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -49.19 78.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.434 ' NE2' HG23 ' A' ' 44' ' ' ILE . 12.5 m170 -52.09 -39.22 59.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.576 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.664 ' CD2' HG23 ' A' ' 70' ' ' ILE . 53.9 mt -60.13 -58.23 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.572 ' CD ' HG21 ' A' ' 122' ' ' ILE . 41.3 mt-30 -47.85 -48.87 30.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -28.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.6 ' OE1' ' CD1' ' A' ' 62' ' ' PHE . 3.6 mt-10 -95.95 -38.39 10.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -64.3 -45.1 89.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 1.095 ' CZ ' HG23 ' A' ' 12' ' ' THR . 67.3 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.46 0.171 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.478 HG22 ' CD ' ' A' ' 66' ' ' GLN . 8.9 t -109.1 159.66 16.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.361 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLU . 3.1 mm-40 -41.59 -60.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' GLU . 26.7 mt-10 -38.89 -39.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.478 ' CD ' HG22 ' A' ' 63' ' ' THR . 52.9 mt-30 -82.17 -60.34 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -45.15 -50.45 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.405 ' CE ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -49.73 -37.93 31.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.599 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.7 m -77.64 -52.98 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.664 HG23 ' CD2' ' A' ' 49' ' ' LEU . 96.8 mt -39.23 -43.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' LYS . . . -65.96 -63.96 3.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.551 1.157 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' GLY . 16.2 mttm -39.81 -46.37 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.658 HD13 ' HG ' ' A' ' 105' ' ' LEU . 32.8 mt -49.12 -53.62 7.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.492 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -57.05 -52.04 66.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.488 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 2.1 m -44.09 -42.25 6.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.444 ' HB2' HD11 ' A' ' 101' ' ' LEU . 32.8 m -63.23 -49.44 74.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 108.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.581 HD12 ' CA ' ' A' ' 46' ' ' ALA . 17.3 mt -44.25 -59.78 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -41.19 -33.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.93 -52.75 15.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 15.1 tpt180 -54.63 -64.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.447 ' HB3' HG23 ' A' ' 39' ' ' ILE . 66.1 m -46.01 -57.03 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 83' ' ' ALA . . . -53.52 -52.21 60.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -40.57 -40.4 1.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.568 HD12 HG13 ' A' ' 39' ' ' ILE . 8.2 mt -66.09 -54.11 29.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -58.8 -47.72 83.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.948 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.492 0.187 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.411 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -105.94 -169.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.798 HD11 ' HB3' ' A' ' 30' ' ' ASP . 3.4 mt -76.23 -57.04 4.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -48.62 -56.04 9.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -54.95 -19.37 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.771 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -92.2 -41.19 10.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.706 ' HA ' HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -64.37 -10.59 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -78.7 1.46 22.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.61 HD13 HG23 ' A' ' 73' ' ' ILE . 79.4 mt -102.02 -9.77 20.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.941 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -71.73 -45.47 12.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.0 -36.62 2.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.528 HD12 HD23 ' A' ' 101' ' ' LEU . 69.5 mt -60.63 -45.06 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.658 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.1 mt -64.98 -33.03 75.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -41.77 46.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 111' ' ' TYR . 70.6 m-80 -89.62 21.92 3.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.0 -39.91 51.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.73 -43.49 75.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.2 t -107.9 45.12 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.599 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 49.9 t80 -92.78 -36.65 12.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.526 ' O ' ' CG ' ' A' ' 113' ' ' LYS . 0.5 OUTLIER 63.21 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 112' ' ' ASN . 10.7 mttt -175.95 -172.86 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER 78.81 97.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.522 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.7 OUTLIER -92.01 148.01 36.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.53 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.3 Cg_endo -74.94 -3.41 13.88 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.53 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 32.6 m-85 -140.64 169.77 17.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -114.7 91.53 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.2 m -134.77 130.1 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.47 144.7 95.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.256 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 150.06 37.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.572 HG21 ' CD ' ' A' ' 50' ' ' GLN . 2.8 mt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.341 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' LEU . 11.2 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.91 -51.1 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.47 -23.57 63.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 19' ' ' TRP . 1.5 tm? -66.66 -59.03 3.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.481 HD22 ' O ' ' A' ' 105' ' ' LEU . 56.8 mt -46.49 -25.2 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' N ' ' C ' ' A' ' 15' ' ' LEU . 5.8 mm-40 -78.81 -70.78 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -43.6 -28.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.503 ' CZ3' HG12 ' A' ' 70' ' ' ILE . 1.4 m0 -68.92 -67.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 107.992 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.86 -36.86 42.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.32 -49.99 68.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.5 m -50.6 -63.8 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.807 HD11 ' HG ' ' A' ' 98' ' ' LEU . 38.2 tp -48.68 -56.14 9.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -50.78 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.405 ' HA ' ' OD2' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -65.2 -48.37 73.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.339 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -46.87 -27.08 3.14 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.64 -39.45 20.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.405 ' OD2' ' HA ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -58.5 -36.86 74.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.589 ' CE1' ' CD ' ' A' ' 37' ' ' GLU . 59.6 m-85 -70.21 -54.66 11.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -50.3 -57.97 6.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.1 t -44.04 -72.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -42.94 -75.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 107.995 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.49 39.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.471 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -114.66 103.85 11.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.669 HD23 ' N ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -89.88 -50.33 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.579 HG23 ' N ' ' A' ' 37' ' ' GLU . 26.8 m -48.22 -56.22 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.589 ' CD ' ' CE1' ' A' ' 29' ' ' PHE . 6.5 mt-10 -61.28 -43.72 98.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.608 ' O ' ' CD2' ' A' ' 42' ' ' TYR . . . -54.28 -51.1 65.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.825 HG13 HD12 ' A' ' 84' ' ' LEU . 7.4 mt -66.31 -42.47 90.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -55.73 -56.7 17.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -53.42 -69.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.713 ' CE1' HD21 ' A' ' 98' ' ' LEU . 21.4 m-85 -39.97 -61.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.52 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 55.2 mt-30 -46.14 -65.69 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.2 mp -42.14 -57.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.4 tp -54.5 -39.47 67.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -61.11 -46.82 89.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -61.93 -33.48 74.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 15.1 m170 -69.93 -49.42 52.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.651 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.505 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 38.3 mt -41.81 -43.77 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.719 ' CD ' HG21 ' A' ' 122' ' ' ILE . 38.6 mt-30 -65.21 -48.51 73.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -28.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.494 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 14.7 mm-40 -95.85 -33.31 12.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -74.51 -65.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLN . 5.6 pt20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.403 ' HA ' ' OE1' ' A' ' 66' ' ' GLN . 9.3 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.453 0.168 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.492 HG23 ' CG ' ' A' ' 65' ' ' GLU . 13.4 t -72.31 163.59 27.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -55.48 5.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.521 ' CB ' ' HE3' ' A' ' 113' ' ' LYS . 2.1 pt-20 -57.61 -25.91 60.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 60.7 mt-30 -81.96 -66.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 63' ' ' THR . 11.7 ptmt -48.03 -27.05 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -60.44 -68.85 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.551 HG22 HD11 ' A' ' 73' ' ' ILE . 18.5 m -42.28 -56.47 2.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' A' ' 73' ' ' ILE . 13.7 mt -40.84 -50.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.543 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -63.76 -37.99 95.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.54 ' HB3' HG23 ' A' ' 119' ' ' VAL . 56.2 mttt -68.76 -42.79 77.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.764 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.974 HD13 ' HG ' ' A' ' 105' ' ' LEU . 70.4 mt -51.76 -54.86 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -47.03 -60.23 2.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' ALA . 2.0 m -37.6 -54.0 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.851 ' SG ' HG11 ' A' ' 119' ' ' VAL . 58.0 m -51.48 -51.47 54.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.258 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.447 HD12 ' CA ' ' A' ' 46' ' ' ALA . 14.4 mt -46.16 -59.12 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -41.64 -31.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' A' ' 93' ' ' PHE . 12.3 mt -73.24 -48.81 31.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.561 ' NH2' HD13 ' A' ' 95' ' ' LEU . 27.4 tpt180 -61.68 -65.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.74 ' HB3' HG23 ' A' ' 39' ' ' ILE . 72.4 m -38.64 -56.29 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.413 1.071 . . . . 0.0 109.99 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.2 -53.67 55.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -41.73 -38.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.825 HD12 HG13 ' A' ' 39' ' ' ILE . 13.2 mt -66.87 -53.85 28.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -54.22 -57.42 11.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 1.1 t80 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.483 0.183 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.488 ' CD ' ' HG2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -56.03 -170.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.561 HD13 ' NH2' ' A' ' 80' ' ' ARG . 35.4 tp -82.28 -57.76 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.488 ' HG2' ' CD ' ' A' ' 94' ' ' LYS . 6.5 pt-20 -46.26 -42.7 14.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -59.32 -32.41 70.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.807 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -75.86 -46.57 29.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -11.56 55.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.46 ' HE2' ' CZ ' ' A' ' 117' ' ' PHE . 24.1 mtpt -72.32 -7.52 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.592 HD13 HG23 ' A' ' 73' ' ' ILE . 33.6 mt -100.83 -13.14 18.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.538 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -54.31 -49.22 91.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.5 Cg_endo -75.01 -49.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.799 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.742 HG23 ' CD1' ' A' ' 111' ' ' TYR . 53.5 mt -43.39 -52.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.974 ' HG ' HD13 ' A' ' 73' ' ' ILE . 7.1 mt -60.12 -36.33 77.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -69.57 -51.78 32.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.485 ' OD1' ' CG2' ' A' ' 110' ' ' THR . 9.4 m-80 -87.68 34.64 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.433 HG13 HD23 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.69 -20.96 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.7 mt -88.41 -30.0 19.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.485 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 7.3 t -117.78 39.82 3.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.425 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.742 ' CD1' HG23 ' A' ' 104' ' ' ILE . 24.5 t80 -100.44 -20.1 15.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.498 ' O ' ' CG ' ' A' ' 113' ' ' LYS . 11.1 m-80 58.62 -91.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.521 ' HE3' ' CB ' ' A' ' 65' ' ' GLU . 12.1 mttt -175.98 -168.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 3.0 tt0 81.96 66.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 1.3 t80 -62.02 140.58 95.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.0 -47.21 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.46 ' CZ ' ' HE2' ' A' ' 100' ' ' LYS . 53.7 m-85 -86.08 140.63 30.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.44 79.97 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.851 HG11 ' SG ' ' A' ' 76' ' ' CYS . 5.2 m -130.15 121.03 50.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.14 158.02 82.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 137.69 22.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.719 HG21 ' CD ' ' A' ' 50' ' ' GLN . 3.1 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.691 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 54.7 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -51.87 -55.65 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.74 -37.89 53.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.878 HD13 ' CH2' ' A' ' 19' ' ' TRP . 0.6 OUTLIER -52.23 -46.09 65.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.19 -20.86 4.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -88.45 -72.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.804 ' HG3' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.93 -44.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.878 ' CH2' HD13 ' A' ' 15' ' ' LEU . 6.5 m0 -55.7 -64.6 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.002 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.16 -35.69 60.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.78 88.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -56.92 15.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.911 HD11 ' HG ' ' A' ' 98' ' ' LEU . 59.1 tp -52.38 -58.18 7.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -54.2 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -60.76 -55.11 37.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' HA3' ' CE1' ' A' ' 42' ' ' TYR . . . -42.93 -32.42 1.44 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.62 -50.31 12.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.6 -37.01 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 21.1 m-85 -72.73 -51.41 19.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.74 -56.96 10.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.43 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -49.6 -69.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 107.971 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.97 46.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -115.23 68.98 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.767 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.9 mt -57.74 -58.3 8.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.791 HG13 ' H ' ' A' ' 37' ' ' GLU . 2.3 p -43.46 -68.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.791 ' H ' HG13 ' A' ' 36' ' ' VAL . 1.8 mt-10 -51.98 -44.05 63.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.96 -63.18 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 35' ' ' LEU . 4.0 mt -40.78 -59.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.484 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.8 OUTLIER -41.06 -58.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -50.25 -68.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.475 ' O ' HD13 ' A' ' 77' ' ' LEU . 21.3 m-85 -43.28 -60.54 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.564 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 77.8 mt-30 -49.4 -62.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.2 mp -42.41 -54.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -54.04 -39.84 66.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -58.09 -49.32 77.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -47.04 82.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -54.89 -51.45 65.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.564 HD13 ' HB ' ' A' ' 73' ' ' ILE . 90.9 mt -43.53 -46.26 6.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.625 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 30.5 mt-30 -58.98 -47.61 84.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -40.58 -31.74 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 17.9 mm-40 -96.0 -35.99 11.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.625 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -68.4 -62.26 1.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLN . 4.8 pt20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.691 ' CZ ' HG23 ' A' ' 12' ' ' THR . 58.2 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.449 0.166 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.3 t -92.74 159.87 15.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -38.94 -59.97 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -44.47 -62.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.42 ' CG ' HG23 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -45.55 -57.95 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HA ' HD12 ' A' ' 70' ' ' ILE . 54.0 mtpt -46.72 -52.56 13.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -60.93 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.34 -49.84 68.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 67' ' ' LYS . 36.6 mt -42.51 -52.14 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.468 ' CA ' HG12 ' A' ' 122' ' ' ILE . . . -63.11 -57.33 16.01 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 71' ' ' GLY . 26.4 mttt -39.96 -53.14 2.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.72 HD13 ' HG ' ' A' ' 105' ' ' LEU . 99.6 mt -43.69 -49.66 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -53.74 -58.3 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 m -41.14 -47.96 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.837 ' SG ' HG11 ' A' ' 119' ' ' VAL . 89.3 m -57.11 -46.15 82.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 108.32 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 42' ' ' TYR . 17.5 mt -51.7 -57.04 10.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.66 -29.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.4 mt -77.15 -57.47 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 15.6 tpt180 -47.6 -67.16 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.447 ' HB3' HG23 ' A' ' 39' ' ' ILE . 38.7 m -41.57 -63.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.152 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.85 -53.1 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -42.61 -40.49 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' A' ' 80' ' ' ARG . 25.5 mt -64.23 -54.27 36.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -56.03 -45.94 79.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.451 0.167 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.463 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.1 OUTLIER -105.95 -170.38 1.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 95' ' ' LEU . 6.9 tp -77.51 -57.02 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.463 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 10.7 pt-20 -49.27 -36.33 20.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.434 ' CG ' ' CE1' ' A' ' 117' ' ' PHE . 50.6 m-20 -71.39 -31.34 67.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.911 ' HG ' HD11 ' A' ' 23' ' ' LEU . 2.9 tp -76.16 -52.22 10.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -54.54 -20.34 7.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -9.51 48.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.512 HD23 HD12 ' A' ' 104' ' ' ILE . 19.3 mt -96.55 -4.61 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.531 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -69.93 -49.61 19.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.03 -29.13 8.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.512 HD12 HD23 ' A' ' 101' ' ' LEU . 79.6 mt -63.69 -47.81 89.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.72 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.1 mt -68.83 -31.75 70.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.17 -53.04 11.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.494 ' OD1' ' CG2' ' A' ' 110' ' ' THR . 54.8 m-80 -90.65 20.41 4.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.42 HG23 ' CG ' ' A' ' 66' ' ' GLN . 0.1 OUTLIER -39.58 -38.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.404 HD23 HE21 ' A' ' 66' ' ' GLN . 84.6 mt -73.96 -53.9 9.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.494 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 9.8 t -97.0 47.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.473 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.2 OUTLIER -110.45 136.16 50.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.73 128.58 33.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.417 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -60.3 -169.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 66.02 68.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.254 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.542 ' CD2' ' HD2' ' A' ' 116' ' ' PRO . 0.3 OUTLIER -38.22 147.65 0.25 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.542 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.4 Cg_endo -75.01 -14.99 20.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.434 ' CE1' ' CG ' ' A' ' 97' ' ' ASP . 77.0 m-85 -123.21 154.91 38.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.79 91.43 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.837 HG11 ' SG ' ' A' ' 76' ' ' CYS . 18.2 m -143.71 112.71 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.02 156.92 88.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 145.4 31.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.6 HG21 ' CD ' ' A' ' 50' ' ' GLN . 11.1 mm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.81 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 1.8 m . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.536 0.208 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -31.22 71.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.2 -24.39 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.639 HD13 ' CH2' ' A' ' 19' ' ' TRP . 5.2 mt -68.64 -65.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 105' ' ' LEU . 59.7 mt -41.91 -28.14 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 15' ' ' LEU . 1.5 tt0 -87.17 -68.16 0.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.99 -33.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.172 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.639 ' CH2' HD13 ' A' ' 15' ' ' LEU . 7.6 m0 -68.02 -65.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.002 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.29 -25.38 18.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.566 1.166 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.12 -18.54 62.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.93 -56.25 3.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.814 HD11 ' HG ' ' A' ' 98' ' ' LEU . 28.1 tp -50.37 -59.36 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.62 -63.98 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -48.71 -30.96 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.49 -33.78 85.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.556 1.16 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.469 ' HB1' ' HZ3' ' A' ' 99' ' ' LYS . . . -70.38 -40.93 73.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.475 ' O ' ' CG ' ' A' ' 32' ' ' TRP . 3.2 m-20 -47.36 -40.81 18.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.599 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 18.5 m-85 -72.98 -55.3 6.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -46.95 -47.45 21.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.43 -70.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.475 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 16.5 m0 -47.1 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 108.042 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.0 42.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.511 ' CB ' ' HB3' ' A' ' 29' ' ' PHE . 2.0 mt-30 -111.95 48.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.334 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.597 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 4.3 mt -42.13 -54.17 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.75 HG13 ' H ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -40.46 -72.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.75 ' H ' HG13 ' A' ' 36' ' ' VAL . 2.9 mt-10 -48.06 -43.15 30.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -49.56 -56.81 8.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.831 HG13 HD12 ' A' ' 84' ' ' LEU . 55.3 mt -50.59 -54.63 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.64 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -49.46 -55.15 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.552 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 3.6 tm-20 -51.03 -69.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 110.317 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.552 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 22.1 m-85 -42.65 -65.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.613 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 73.3 mt-30 -42.97 -60.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.64 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.3 mp -43.43 -62.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.543 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 62.5 tp -51.19 -38.48 52.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -59.83 -55.06 38.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -27.17 67.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' HG23 ' A' ' 44' ' ' ILE . 1.3 m80 -75.17 -37.52 61.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.566 HD21 HD21 ' A' ' 105' ' ' LEU . 19.4 mt -57.6 -51.15 70.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.617 ' CD ' HG21 ' A' ' 122' ' ' ILE . 43.1 mt-30 -53.05 -43.53 66.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -38.2 -32.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' HB2' HG21 ' A' ' 70' ' ' ILE . 6.7 mt-10 -95.28 -40.61 9.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.586 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -60.03 -28.46 67.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 3.9 pt20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.353 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.81 ' CZ ' HG23 ' A' ' 12' ' ' THR . 75.8 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.481 0.181 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -93.51 155.95 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -45.29 -55.43 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -48.97 -34.0 12.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 109' ' ' LEU . 37.9 mt-30 -79.91 -49.12 12.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.6 OUTLIER -59.45 -54.99 40.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -31.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.49 -41.11 20.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.519 HG23 ' CD2' ' A' ' 49' ' ' LEU . 44.9 mt -51.22 -44.58 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.79 -51.54 45.68 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.81 -54.55 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.78 HD13 ' HG ' ' A' ' 105' ' ' LEU . 96.6 mt -43.11 -51.33 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -54.64 -54.79 36.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' ALA . 31.4 m -37.85 -52.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.821 ' HA ' HD22 ' A' ' 79' ' ' LEU . 83.6 m -53.43 -54.09 41.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.567 HD12 ' HB2' ' A' ' 46' ' ' ALA . 10.0 mt -39.97 -62.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -40.76 -44.69 2.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.821 HD22 ' HA ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -63.64 -48.17 78.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.607 ' NE ' HD21 ' A' ' 84' ' ' LEU . 17.4 tpt180 -61.8 -59.1 5.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.525 ' HB3' HG23 ' A' ' 39' ' ' ILE . 58.7 m -43.98 -50.19 8.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.39 -48.1 76.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -42.24 -45.63 4.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.831 HD12 HG13 ' A' ' 39' ' ' ILE . 10.3 mt -59.7 -53.66 55.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -58.15 -37.01 73.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.601 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.505 0.193 . . . . 0.0 111.02 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.469 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -106.13 -170.03 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 95' ' ' LEU . 9.0 tp -78.76 -55.25 5.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 9.7 pt-20 -48.6 -50.8 31.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 96.6 m-20 -60.36 -31.37 70.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.814 ' HG ' HD11 ' A' ' 23' ' ' LEU . 2.0 tp -73.51 -58.26 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.469 ' HZ3' ' HB1' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -57.75 -17.25 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -11.06 49.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.556 HD23 HD12 ' A' ' 104' ' ' ILE . 32.7 mt -98.61 -5.94 30.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.566 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -61.42 -47.67 92.94 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.1 Cg_endo -75.04 -46.04 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.556 HD12 HD23 ' A' ' 101' ' ' LEU . 43.9 mt -45.73 -51.93 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.78 ' HG ' HD13 ' A' ' 73' ' ' ILE . 0.9 OUTLIER -60.11 -30.38 69.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 103' ' ' PRO . 3.5 mmmt -76.28 -48.0 21.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.637 ' HB3' HG23 ' A' ' 110' ' ' THR . 60.7 m-20 -90.98 23.98 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.44 -39.16 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.424 ' HA ' ' NE2' ' A' ' 66' ' ' GLN . 25.2 mt -71.26 -48.96 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.637 HG23 ' HB3' ' A' ' 107' ' ' ASN . 7.7 t -91.92 36.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.454 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 64.4 t80 -92.85 134.95 34.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' A' ' 113' ' ' LYS . 22.3 m-80 -82.91 -89.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.564 ' CG ' ' O ' ' A' ' 112' ' ' ASN . 0.0 OUTLIER 174.25 -167.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 2.2 tt0 85.8 -46.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 1.0 OUTLIER 66.42 148.77 0.11 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.05 0.78 8.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 97' ' ' ASP . 97.4 m-85 -148.19 171.8 15.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -129.04 88.46 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 120' ' ' GLN . 27.2 m -131.38 123.83 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 119' ' ' VAL . 3.0 mt-30 -38.38 121.14 1.09 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.6 11.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.617 HG21 ' CD ' ' A' ' 50' ' ' GLN . 2.9 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.606 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 4.8 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -30.28 65.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 t -83.83 -23.1 31.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.981 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -71.4 -33.59 69.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 105' ' ' LEU . 20.8 mt -78.76 -43.94 24.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -60.05 -32.49 70.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -78.6 -44.6 23.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.563 ' HB3' HD22 ' A' ' 105' ' ' LEU . 6.2 m0 -60.59 -31.89 71.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 108.048 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.09 -18.76 64.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 -22.8 56.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.419 ' HB2' HD22 ' A' ' 45' ' ' LEU . 6.0 m -78.69 -65.37 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.85 HD11 ' HG ' ' A' ' 98' ' ' LEU . 50.0 tp -43.82 -56.58 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.68 -50.82 17.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.7 ttt180 -64.21 -52.01 60.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.48 -26.36 1.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.88 -38.58 19.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -56.97 -44.9 83.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.569 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 54.8 m-85 -66.62 -51.56 54.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.69 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -53.28 -57.42 10.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.56 -67.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.502 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 20.8 m0 -43.76 -72.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 107.978 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.04 43.36 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.555 1.16 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -118.9 72.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.454 HD23 ' N ' ' A' ' 35' ' ' LEU . 4.6 mt -61.79 -54.01 48.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.8 t -48.0 -60.23 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.569 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -56.22 -42.99 78.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.72 -64.09 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.883 HG13 HD12 ' A' ' 84' ' ' LEU . 6.6 mt -41.27 -59.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.647 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -46.55 -49.37 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -53.78 -66.02 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.498 ' CE2' ' HG2' ' A' ' 80' ' ' ARG . 20.2 m-85 -49.51 -64.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.673 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 63.0 mt-30 -39.46 -62.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.687 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.3 mp -42.08 -60.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.482 ' N ' HG22 ' A' ' 44' ' ' ILE . 45.8 tp -50.65 -37.96 43.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -58.3 -64.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -29.83 65.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.687 ' CE1' HG23 ' A' ' 44' ' ' ILE . 1.4 m80 -70.79 -31.38 68.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.582 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.838 HD22 HG23 ' A' ' 70' ' ' ILE . 16.8 mt -66.55 -42.36 87.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.659 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 63.8 mt-30 -60.12 -46.19 90.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' GLN . 7.7 tptt -39.31 -32.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.557 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 57.8 mm-40 -96.04 -37.52 10.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -64.97 -61.1 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.4 pt20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.606 ' CZ ' HG23 ' A' ' 12' ' ' THR . 21.6 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.547 0.213 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.839 HG22 ' OE1' ' A' ' 66' ' ' GLN . 1.9 t -104.78 171.13 7.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.417 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -52.01 -51.9 54.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.332 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.42 ' CA ' ' HE2' ' A' ' 113' ' ' LYS . 10.3 mm-40 -46.67 -58.91 3.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.839 ' OE1' HG22 ' A' ' 63' ' ' THR . 56.1 mt-30 -53.78 -59.6 4.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.546 ' HA ' HD12 ' A' ' 70' ' ' ILE . 20.4 mtpt -40.66 -49.42 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.27 -68.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.407 ' OG1' ' CE1' ' A' ' 111' ' ' TYR . 1.1 m -47.93 -54.28 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.838 HG23 HD22 ' A' ' 49' ' ' LEU . 80.1 mt -40.76 -43.24 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.41 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -72.64 -51.8 11.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' CG ' ' HB3' ' A' ' 121' ' ' PRO . 11.4 mttt -47.15 -41.73 18.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.73 HD13 ' HG ' ' A' ' 105' ' ' LEU . 88.8 mt -53.17 -56.93 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.529 ' HB3' ' CD1' ' A' ' 122' ' ' ILE . . . -47.68 -56.25 7.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.9 m -39.86 -49.21 2.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.4 ' CB ' HD11 ' A' ' 101' ' ' LEU . 47.2 m -57.32 -50.13 73.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.628 HD12 ' CA ' ' A' ' 46' ' ' ALA . 16.0 mt -44.07 -59.11 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.33 -27.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.404 ' N ' ' C ' ' A' ' 77' ' ' LEU . 20.7 mt -79.28 -58.1 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.672 ' CZ ' HD21 ' A' ' 84' ' ' LEU . 14.2 tpt85 -48.89 -65.28 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.702 ' HB3' HG23 ' A' ' 39' ' ' ILE . 31.5 m -41.2 -61.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 86' ' ' SER . . . -50.94 -46.81 61.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -48.72 -36.97 17.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.883 HD12 HG13 ' A' ' 39' ' ' ILE . 21.3 mt -67.35 -50.38 60.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -66.95 -19.36 65.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 82' ' ' ALA . 1.3 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.549 ' CE1' ' CD1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.552 0.215 . . . . 0.0 110.956 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 -168.8 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.904 HD23 HD23 ' A' ' 98' ' ' LEU . 8.8 mt -81.82 -53.13 6.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 9.3 pt-20 -51.15 -33.8 28.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 77.3 m-20 -81.51 -25.8 35.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.904 HD23 HD23 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -79.29 -39.84 31.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -56.56 -18.19 10.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 96' ' ' GLU . 19.3 mtpp -70.9 -6.29 37.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.6 HD23 HD12 ' A' ' 104' ' ' ILE . 83.2 mt -100.36 2.13 42.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.679 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -79.14 -50.21 1.4 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.06 -30.21 7.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.6 HD12 HD23 ' A' ' 101' ' ' LEU . 65.5 mt -61.03 -46.45 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.73 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.4 mt -70.42 -31.66 68.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -72.24 -51.57 20.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 110' ' ' THR . 9.7 m-80 -92.11 24.71 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.61 -36.37 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.464 HD23 ' NE2' ' A' ' 66' ' ' GLN . 0.2 OUTLIER -79.64 -35.18 39.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 107' ' ' ASN . 0.0 OUTLIER -112.72 52.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.407 ' CE1' ' OG1' ' A' ' 69' ' ' THR . 0.7 OUTLIER -120.15 125.03 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -71.32 123.59 22.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.42 ' HE2' ' CA ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -53.22 -175.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 115' ' ' PHE . 0.9 OUTLIER 77.85 60.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.55 ' CD2' ' HD2' ' A' ' 116' ' ' PRO . 0.5 OUTLIER -36.52 147.78 0.19 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.989 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.0 -38.35 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.771 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.549 ' CD1' ' CE1' ' A' ' 93' ' ' PHE . 93.7 m-85 -85.84 -10.53 55.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' PHE . 33.7 m-20 39.38 82.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 120' ' ' GLN . 5.9 m -124.38 127.95 73.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' VAL . 0.2 OUTLIER -38.44 124.19 1.12 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.424 ' HB3' ' CG ' ' A' ' 72' ' ' LYS . 18.1 Cg_endo -74.95 148.33 35.37 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.475 1.776 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.529 ' CD1' ' HB3' ' A' ' 74' ' ' ALA . 2.1 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.767 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 93.2 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.3 -25.32 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 p -87.64 -18.62 29.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.957 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.569 HD13 ' CH2' ' A' ' 19' ' ' TRP . 4.9 mt -71.15 -68.17 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.3 mt -41.23 -28.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 15' ' ' LEU . 9.6 mt-30 -86.21 -70.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.446 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -40.08 -32.28 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.256 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.569 ' CH2' HD13 ' A' ' 15' ' ' LEU . 6.6 m0 -69.23 -66.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.025 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.57 -23.49 4.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.6 -34.98 70.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.51 ' CB ' HD22 ' A' ' 45' ' ' LEU . 3.7 m -62.8 -62.04 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.035 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.625 ' CD1' HD21 ' A' ' 98' ' ' LEU . 21.8 tp -50.82 -58.37 6.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -37.96 -46.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -74.26 -48.17 30.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.7 -37.63 3.95 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.29 -52.92 42.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.515 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 24.6 m-20 -41.11 -56.63 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -55.6 -52.71 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -64.31 0.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 m -41.04 -65.8 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.515 ' CH2' ' HB3' ' A' ' 28' ' ' ASP . 28.9 m0 -48.62 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.67 43.53 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.531 1.145 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -114.18 68.31 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.317 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 39' ' ' ILE . 9.6 mt -56.47 -58.91 6.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.777 HG13 ' H ' ' A' ' 37' ' ' GLU . 1.4 p -42.37 -71.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.777 ' H ' HG13 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -51.77 -44.43 63.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -52.51 -62.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.893 HG13 HD12 ' A' ' 84' ' ' LEU . 3.4 mt -43.42 -52.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.93 -53.87 9.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -50.18 -66.16 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.537 ' HE2' HD11 ' A' ' 84' ' ' LEU . 22.0 m-85 -46.08 -66.98 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.503 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 31.2 mt-30 -40.57 -64.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.442 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.1 mp -43.2 -54.3 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.51 HD22 ' CB ' ' A' ' 22' ' ' SER . 20.7 tp -58.19 -40.89 82.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.519 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -56.66 -58.33 8.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -34.71 63.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.442 ' CE1' HG23 ' A' ' 44' ' ' ILE . 1.3 m80 -66.13 -36.43 83.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.599 HD13 ' HB ' ' A' ' 73' ' ' ILE . 71.8 mt -65.64 -58.5 5.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.442 ' C ' ' N ' ' A' ' 52' ' ' GLU . 7.5 mt-30 -47.45 -44.9 25.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -29.04 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.476 ' HB2' HG21 ' A' ' 70' ' ' ILE . 33.1 mm-40 -94.1 -40.58 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -60.81 -37.11 80.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.28 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.767 ' CZ ' HG23 ' A' ' 12' ' ' THR . 39.3 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.495 0.188 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.448 HG23 ' CG ' ' A' ' 65' ' ' GLU . 5.4 t -80.56 156.89 26.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -47.88 -62.55 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 8.4 pt-20 -41.89 -32.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.518 ' NE2' HD23 ' A' ' 109' ' ' LEU . 27.1 mt-30 -81.5 -50.31 9.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 70' ' ' ILE . 34.8 mtpt -56.28 -37.39 69.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -59.58 -54.7 43.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.598 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 48.2 m -51.8 -58.12 7.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.544 HG23 HD22 ' A' ' 49' ' ' LEU . 63.5 mt -40.91 -43.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.471 ' CA ' HG12 ' A' ' 122' ' ' ILE . . . -65.38 -56.57 14.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 1.7 mttt -41.06 -38.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.822 HG23 HD13 ' A' ' 101' ' ' LEU . 71.9 mt -62.63 -59.13 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -43.33 -44.83 5.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.4 -58.2 7.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.653 ' SG ' HG11 ' A' ' 119' ' ' VAL . 71.9 m -47.54 -55.7 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 108.31 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 46' ' ' ALA . 3.6 mt -38.97 -63.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' LEU . 1.4 mm-40 -37.53 -51.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.592 ' N ' HD13 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -54.91 -56.08 23.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 28.4 tpt180 -56.3 -61.63 2.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.417 ' O ' ' NE2' ' A' ' 85' ' ' GLN . 75.3 m -39.13 -52.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.61 -48.02 73.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -40.84 -53.82 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.893 HD12 HG13 ' A' ' 39' ' ' ILE . 23.0 mt -52.84 -48.86 66.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 81' ' ' SER . 23.8 mt-30 -59.8 -39.84 86.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.59 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.528 0.204 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.421 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -106.23 -170.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 95' ' ' LEU . 3.5 tp -75.31 -59.94 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.36 -46.92 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -60.63 -38.22 84.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.625 HD21 ' CD1' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -74.23 -46.39 42.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.409 ' HA ' HD21 ' A' ' 23' ' ' LEU . 15.0 mttm -53.36 -23.16 8.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -72.07 -5.64 36.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.822 HD13 HG23 ' A' ' 73' ' ' ILE . 90.0 mt -99.56 -3.61 32.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -72.69 -50.32 7.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.0 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 108' ' ' ILE . 15.8 mt -45.48 -51.37 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.636 ' HG ' HD13 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -52.58 -35.42 53.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 103' ' ' PRO . 15.6 mttt -79.55 -38.12 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.459 ' OD1' ' CG2' ' A' ' 110' ' ' THR . 32.7 m-80 -88.67 16.16 7.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -54.41 -28.67 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.518 HD23 ' NE2' ' A' ' 66' ' ' GLN . 77.0 mt -80.98 -47.17 14.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.459 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 8.5 t -91.84 34.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.598 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 17.7 t80 -82.63 125.8 31.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -97.71 27.52 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.577 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 12.6 mttt 51.0 -179.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.8 tt0 80.24 74.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -57.78 144.43 73.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.441 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -74.98 -14.28 21.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.441 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 48.1 m-85 -116.38 152.36 34.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -77.09 68.76 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.653 HG11 ' SG ' ' A' ' 76' ' ' CYS . 28.9 m -125.06 131.78 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -88.45 158.34 48.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 134.14 17.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.471 HG12 ' CA ' ' A' ' 71' ' ' GLY . 10.8 mm . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.4 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -41.05 52.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -29.31 69.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.61 HD23 ' HG2' ' A' ' 18' ' ' ARG . 4.1 mt -69.05 -61.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.964 HD12 ' O ' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -42.59 -28.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.441 ' N ' ' C ' ' A' ' 15' ' ' LEU . 33.4 mt-30 -89.15 -70.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.61 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -38.71 -33.5 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.793 ' HB3' HD13 ' A' ' 105' ' ' LEU . 4.4 m0 -70.17 -67.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 108.029 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.82 -27.82 14.47 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.7 -42.0 95.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.2 -63.03 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 110.018 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.879 HD11 ' HG ' ' A' ' 98' ' ' LEU . 52.7 tp -47.29 -59.82 2.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -40.25 -46.99 2.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -44.95 70.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.09 -35.67 33.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.89 -44.65 61.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.504 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . 67.4 m-20 -50.45 -54.28 23.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 37' ' ' GLU . 16.3 m-85 -51.73 -59.16 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -54.09 -54.31 41.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.02 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.504 ' CZ2' ' HB3' ' A' ' 28' ' ' ASP . 5.1 m0 -55.46 -65.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.97 47.8 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' LEU . 13.6 mm100 -115.98 45.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.5 mt -36.68 -43.25 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.01 -59.98 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.9 mt-10 -61.69 -39.86 92.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' HB1' ' CE2' ' A' ' 42' ' ' TYR . . . -56.85 -50.18 73.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 35' ' ' LEU . 7.8 mt -54.15 -60.06 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.85 -60.87 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -46.19 -59.54 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.597 ' CE1' HD21 ' A' ' 98' ' ' LEU . 18.7 m-85 -51.31 -63.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.508 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 87.9 mt-30 -47.94 -62.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.604 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.1 mp -40.83 -56.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 55.3 tp -55.5 -42.96 75.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.652 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -55.65 -53.55 55.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -27.42 68.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.604 ' CE1' HG23 ' A' ' 44' ' ' ILE . 1.3 m80 -73.73 -42.13 61.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.549 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.877 HD22 HG23 ' A' ' 70' ' ' ILE . 32.7 mt -53.86 -53.95 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.575 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 38.1 mt-30 -49.98 -45.47 51.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' GLN . 12.9 tptt -39.53 -31.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.504 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 17.1 mm-40 -95.75 -39.32 9.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -61.48 -59.93 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.343 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.402 ' CE1' HG21 ' A' ' 108' ' ' ILE . 31.2 m-85 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.492 0.186 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.715 HG22 ' CD ' ' A' ' 66' ' ' GLN . 3.8 t -78.66 156.48 29.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 68' ' ' LYS . 7.7 mt-10 -37.87 -55.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.463 ' CA ' ' HE3' ' A' ' 113' ' ' LYS . 55.8 mt-10 -49.07 -52.76 23.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.715 ' CD ' HG22 ' A' ' 63' ' ' THR . 5.6 mt-30 -55.71 -63.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -56.39 -19.02 12.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -80.35 -30.05 37.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 70' ' ' ILE . 1.1 m -88.39 -45.93 9.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.877 HG23 HD22 ' A' ' 49' ' ' LEU . 92.5 mt -40.67 -57.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.414 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -48.67 -52.75 19.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.563 1.165 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -44.54 -52.09 8.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.855 HD13 ' HG ' ' A' ' 105' ' ' LEU . 25.7 mt -48.21 -52.74 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -53.12 -57.13 11.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.453 ' CG2' ' HB ' ' A' ' 119' ' ' VAL . 0.8 OUTLIER -37.35 -61.67 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.436 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.805 ' SG ' HG11 ' A' ' 119' ' ' VAL . 1.8 m -41.83 -50.3 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 108.289 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.652 HD12 ' CA ' ' A' ' 46' ' ' ALA . 15.0 mt -44.5 -50.4 9.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -49.14 -28.08 4.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.657 ' N ' HD12 ' A' ' 79' ' ' LEU . 2.3 mp -78.24 -60.3 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.85 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 9.6 tpt85 -45.95 -67.97 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.462 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 85.2 p -41.33 -70.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.402 ' N ' ' OG ' ' A' ' 81' ' ' SER . . . -42.3 -41.22 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.85 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -47.03 -54.6 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.721 HD22 ' O ' ' A' ' 80' ' ' ARG . 2.1 mm? -55.24 -60.65 3.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.462 ' NE2' ' C ' ' A' ' 81' ' ' SER . 3.0 mt-30 -50.29 -49.9 52.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 97' ' ' ASP . 1.4 t80 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.492 0.187 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.431 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -63.09 -170.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 98' ' ' LEU . 2.2 mt -85.04 -57.14 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -47.3 -23.43 0.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.572 ' HB3' ' CE1' ' A' ' 93' ' ' PHE . 37.3 m-20 -86.31 -37.57 18.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.879 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.9 tp -70.87 -47.91 56.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -14.56 38.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -76.23 -2.33 30.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.016 HD23 HD12 ' A' ' 104' ' ' ILE . 83.1 mt -103.66 -1.65 27.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -66.11 -52.55 38.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -74.97 -29.54 8.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.016 HD12 HD23 ' A' ' 101' ' ' LEU . 43.7 mt -63.1 -32.85 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.872 ' O ' HD13 ' A' ' 16' ' ' LEU . 2.5 mt -87.14 -35.98 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.964 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -68.47 -42.97 77.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' A' ' 111' ' ' TYR . 20.1 m-80 -101.71 27.75 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.539 HG13 HD23 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -44.61 -46.54 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.7 mt -55.25 -63.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 t -107.62 57.46 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.812 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -97.47 -21.35 17.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 62.25 125.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.497 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -57.36 -164.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 0.9 OUTLIER 82.65 45.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.289 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.444 ' CE2' HD21 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -37.95 143.43 0.4 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.417 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -74.95 -9.38 20.82 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -128.55 162.58 26.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.69 87.87 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.805 HG11 ' SG ' ' A' ' 76' ' ' CYS . 2.7 m -130.83 130.62 64.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -79.52 142.57 58.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.55 38.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.536 1.808 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.54 HG21 ' CD ' ' A' ' 50' ' ' GLN . 2.9 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.2 p -141.94 -60.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -54.43 -61.07 2.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.08 -93.89 0.55 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -117.72 143.14 46.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 109.967 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.13 139.09 58.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.19 -108.88 1.07 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 tmm? -155.82 109.16 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.04 -70.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 169.93 -31.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 m -70.09 -32.26 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 1.067 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 13.6 m -59.9 -30.16 68.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.42 -35.47 70.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 t -67.85 -27.48 66.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.866 HD13 ' CH2' ' A' ' 19' ' ' TRP . 2.8 mt -68.49 -64.68 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.662 HD22 ' O ' ' A' ' 105' ' ' LEU . 72.7 mt -41.23 -28.72 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' N ' ' C ' ' A' ' 15' ' ' LEU . 2.6 mm-40 -73.31 -68.9 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -51.96 -33.39 37.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.866 ' CH2' HD13 ' A' ' 15' ' ' LEU . 6.5 m0 -67.87 -64.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.36 -22.05 9.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.08 -28.11 54.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.763 ' HB3' HD22 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -70.32 -58.96 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.776 HD11 ' HG ' ' A' ' 98' ' ' LEU . 50.7 tp -52.65 -55.78 20.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.11 -47.32 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.475 ' CG ' ' OD2' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -73.25 -55.43 6.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -37.97 -29.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . -83.2 -50.21 8.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 0.741 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.475 ' OD2' ' CG ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -40.26 -42.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -62.53 -54.3 41.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.51 -65.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.2 -64.29 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.416 ' CZ3' ' OD1' ' A' ' 28' ' ' ASP . 13.1 m0 -51.35 -74.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.3 43.26 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.403 ' NE2' ' OE1' ' A' ' 37' ' ' GLU . 8.4 mm100 -117.24 63.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 0.782 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.476 HD23 ' N ' ' A' ' 35' ' ' LEU . 4.9 mt -54.12 -53.78 48.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.7 t -44.88 -69.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' OE1' ' NE2' ' A' ' 34' ' ' GLN . 3.6 mt-10 -49.9 -43.8 49.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -51.97 -64.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.865 HG13 HD12 ' A' ' 84' ' ' LEU . 6.5 mt -40.88 -59.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.09 -61.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -45.32 -60.41 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.461 ' CE1' HD21 ' A' ' 98' ' ' LEU . 18.0 m-85 -50.89 -60.93 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -48.5 -64.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.603 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.1 mp -42.04 -54.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.763 HD22 ' HB3' ' A' ' 22' ' ' SER . 23.6 tp -58.59 -41.65 86.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.452 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -60.47 -52.11 66.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -44.62 57.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.269 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 10.2 m170 -61.74 -47.67 84.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.595 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.879 HD22 HG23 ' A' ' 70' ' ' ILE . 17.0 mt -48.07 -40.15 22.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.646 ' NE2' HD13 ' A' ' 122' ' ' ILE . 20.5 mm-40 -72.39 -51.51 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -29.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 50' ' ' GLN . 17.9 mm-40 -94.93 -34.32 12.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.491 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -70.61 -64.21 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -66.72 -35.07 79.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 57.74 173.85 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -95.7 -49.26 5.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.436 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 71.5 m-70 -120.02 48.96 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.626 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 57' ' ' HIS . 1.0 OUTLIER 40.88 32.69 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -82.57 -79.04 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 m 65.26 112.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.29 -16.42 21.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 1.067 ' CZ ' HG23 ' A' ' 12' ' ' THR . 26.7 m-85 -103.53 161.8 13.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.591 HG22 ' CD ' ' A' ' 66' ' ' GLN . 8.2 t -65.2 -165.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.492 ' N ' ' OG1' ' A' ' 63' ' ' THR . 5.0 mt-10 -85.95 -38.21 18.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.423 ' HG2' ' N ' ' A' ' 66' ' ' GLN . 1.4 pt-20 -68.3 -25.16 64.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.851 ' NE2' HD23 ' A' ' 109' ' ' LEU . 65.9 mt-30 -79.72 -68.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -39.9 -41.95 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.2 mmpp? -42.64 -64.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.628 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.9 m -55.85 -49.82 72.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.426 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.879 HG23 HD22 ' A' ' 49' ' ' LEU . 60.7 mt -49.55 -52.12 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.92 -16.74 59.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.13 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 75' ' ' THR . 19.6 mttt -90.65 -55.63 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.699 ' HB ' HD13 ' A' ' 49' ' ' LEU . 63.1 mt -37.53 -42.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.37 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.493 ' HB3' ' NE2' ' A' ' 50' ' ' GLN . . . -54.22 -56.11 21.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.634 ' OG1' HD12 ' A' ' 122' ' ' ILE . 23.3 m -37.66 -58.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.535 ' SG ' HG11 ' A' ' 119' ' ' VAL . 84.9 m -47.72 -53.24 15.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.296 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.452 HD12 ' CA ' ' A' ' 46' ' ' ALA . 13.9 mt -46.87 -58.78 3.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -42.78 -27.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 77' ' ' LEU . 29.1 mt -81.09 -50.73 9.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.636 ' HD3' HD22 ' A' ' 98' ' ' LEU . 15.0 tpt85 -53.84 -65.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.692 ' HB3' HG23 ' A' ' 39' ' ' ILE . 28.4 m -44.78 -52.41 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.0 -50.2 74.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -43.61 -40.32 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.865 HD12 HG13 ' A' ' 39' ' ' ILE . 24.6 mt -67.42 -53.84 25.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -57.23 -50.68 72.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.19 135.96 4.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.5 m -112.62 -57.07 2.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.95 74.52 9.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.7 p -179.7 172.79 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 177.92 56.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -155.56 23.96 0.4 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -92.49 -147.25 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -81.28 145.35 30.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 111.061 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.468 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -106.4 -169.72 1.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.783 HD23 HD23 ' A' ' 98' ' ' LEU . 2.6 mt -77.99 -56.56 4.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 9.1 pt-20 -47.85 -46.19 30.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -64.28 -26.99 68.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.783 HD23 HD23 ' A' ' 95' ' ' LEU . 1.5 tp -81.18 -49.86 10.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -13.54 32.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -67.82 -9.46 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.244 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.673 HD13 HG23 ' A' ' 73' ' ' ILE . 16.6 mt -99.67 -19.38 16.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.667 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -47.51 -51.26 45.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.02 -49.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.471 HD12 HD23 ' A' ' 101' ' ' LEU . 16.2 mt -40.13 -63.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.662 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -39.69 -50.55 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -47.19 78.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -87.34 40.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.47 ' CG1' ' HA ' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -73.94 -45.34 49.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.851 HD23 ' NE2' ' A' ' 66' ' ' GLN . 2.0 mt -64.29 -39.85 94.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.2 t -98.96 47.74 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.4 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.628 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 67.0 t80 -110.59 107.18 16.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 113' ' ' LYS . 1.2 t30 -88.64 48.94 1.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.611 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 4.4 mptp? 44.17 -168.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 2.7 tt0 84.36 51.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.592 ' CD2' ' OH ' ' A' ' 111' ' ' TYR . 0.3 OUTLIER -52.76 139.91 40.17 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.04 2.54 6.53 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.434 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 55.3 m-85 -135.71 165.18 26.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 111.062 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -98.53 86.42 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.535 HG11 ' SG ' ' A' ' 76' ' ' CYS . 15.6 m -135.9 120.37 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.21 151.46 83.63 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.38 4.89 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.646 HD13 ' NE2' ' A' ' 50' ' ' GLN . 0.4 OUTLIER -65.93 120.6 13.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.54 163.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 119.67 144.7 7.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.53 1.144 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.2 5.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 26.1 p -112.39 159.96 18.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.33 107.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 p -164.93 135.24 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 0.729 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 m -79.17 114.97 18.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.04 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.37 -138.63 2.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.55 96.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.32 155.87 33.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.956 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.04 153.99 30.68 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.115 . . . . 0.0 110.977 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.475 ' HB2' HD11 ' A' ' 109' ' ' LEU . 2.4 ttm -53.31 98.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -139.21 75.36 1.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.972 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 65.48 -72.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' SER . 20.0 t -47.55 -68.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.798 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 3.7 m -51.84 -45.68 64.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -45.49 -45.12 13.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.355 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -56.34 -33.08 65.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.568 ' HG ' ' CE3' ' A' ' 19' ' ' TRP . 7.0 tp -68.69 -70.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.768 HD22 ' O ' ' A' ' 105' ' ' LEU . 82.4 mt -40.05 -29.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 15' ' ' LEU . 2.8 mt-30 -79.45 -65.72 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -47.91 -32.65 6.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.635 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 5.7 m0 -69.5 -63.5 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.5 -22.9 4.15 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.42 -32.36 68.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.747 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m -68.47 -65.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.853 HD11 ' HG ' ' A' ' 98' ' ' LEU . 22.3 tp -46.24 -54.94 7.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.63 -55.36 7.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -61.18 -50.48 72.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.59 -29.0 2.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.03 -48.72 12.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.53 -43.11 35.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -65.31 -50.97 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.3 OUTLIER -53.49 -61.49 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' ASP . 1.0 OUTLIER -38.2 -69.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -48.03 -70.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 108.012 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.49 43.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.118 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 10.5 mm100 -113.88 72.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 110.347 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 35' ' ' LEU . 6.7 mt -62.19 -53.75 50.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -46.21 -66.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.15 -42.42 69.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -55.72 -57.27 12.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.2 mt -45.8 -64.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.26 -52.54 12.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -47.98 -54.66 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.572 ' O ' HD13 ' A' ' 77' ' ' LEU . 19.1 m-85 -62.94 -49.31 75.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.493 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 69.8 mt-30 -53.28 -61.58 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.529 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.1 mp -40.65 -60.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.635 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 25.1 tp -53.53 -40.58 65.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.574 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -60.75 -50.89 71.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.88 -42.84 76.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 10.1 m170 -62.86 -47.98 81.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.764 ' CD2' HG23 ' A' ' 70' ' ' ILE . 62.7 mt -49.99 -46.56 52.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.475 ' CD ' HG21 ' A' ' 122' ' ' ILE . 46.3 mt-30 -57.15 -53.18 61.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.982 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -43.19 -27.81 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 50' ' ' GLN . 36.0 mm-40 -94.93 -34.71 12.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -69.47 -50.58 44.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -101.04 45.54 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.982 ' HB2' ' O ' ' A' ' 51' ' ' LYS . . . -101.0 -47.1 4.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 69.93 -82.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -153.71 68.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.616 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -136.57 -54.95 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -149.89 92.29 1.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.5 p 174.6 153.1 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.983 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -130.26 46.98 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.798 ' CZ ' HG23 ' A' ' 12' ' ' THR . 59.7 m-85 -129.96 173.16 10.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.712 HG22 ' CD ' ' A' ' 66' ' ' GLN . 5.0 t -99.03 161.05 13.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -43.26 -54.87 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 32.3 mt-10 -45.24 -51.09 11.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.712 ' CD ' HG22 ' A' ' 63' ' ' THR . 6.8 mt-30 -59.99 -68.05 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.637 ' HA ' HD12 ' A' ' 70' ' ' ILE . 9.7 mtpt -46.43 -32.89 3.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' CG ' ' HE2' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -60.88 -56.71 17.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.56 -45.87 81.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.764 HG23 ' CD2' ' A' ' 49' ' ' LEU . 95.5 mt -41.22 -39.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.04 -59.76 7.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 0.9 OUTLIER -40.87 -43.57 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.542 HD13 ' HG ' ' A' ' 105' ' ' LEU . 35.0 mt -52.35 -55.94 8.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -52.71 -55.11 25.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.419 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 1.1 m -38.7 -52.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.834 ' HA ' HD22 ' A' ' 79' ' ' LEU . 94.1 m -54.02 -55.93 22.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 108.237 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.574 HD12 ' HB2' ' A' ' 46' ' ' ALA . 8.0 mt -38.23 -62.34 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -39.64 -44.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.834 HD22 ' HA ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -65.54 -52.34 53.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.5 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 12.6 tpt180 -53.23 -56.54 15.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.7 m -49.38 -62.14 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' ALA . . . -51.73 -50.21 61.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -39.96 -38.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.504 ' N ' HD23 ' A' ' 84' ' ' LEU . 5.3 mt -70.86 -53.0 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -53.78 -39.58 65.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.42 162.23 29.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.0 m -59.23 96.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 61.61 -89.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.2 103.58 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -64.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.353 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -169.54 33.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 110.279 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -92.87 -146.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.599 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -82.31 152.5 26.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 -169.13 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.968 HD23 HD23 ' A' ' 98' ' ' LEU . 1.8 mt -80.87 -51.92 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.49 -52.86 43.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.511 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 37.4 m-20 -61.25 -24.28 66.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.968 HD23 HD23 ' A' ' 95' ' ' LEU . 1.8 tp -79.9 -49.98 11.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.252 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.582 ' HD2' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -60.64 -16.39 38.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -72.59 -7.02 48.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.556 HD23 HD12 ' A' ' 104' ' ' ILE . 18.8 mt -97.53 -4.73 37.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.506 ' CG ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -68.67 -51.18 22.28 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.04 -31.52 6.08 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.556 HD12 HD23 ' A' ' 101' ' ' LEU . 70.0 mt -59.18 -45.05 93.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.768 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -67.84 -33.28 74.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -52.95 15.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 111' ' ' TYR . 44.7 m-80 -92.41 26.14 2.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -44.9 -45.03 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.661 HD23 ' NE2' ' A' ' 66' ' ' GLN . 1.3 mt -68.82 -55.88 9.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.447 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 3.2 t -91.74 46.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.514 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.1 OUTLIER -113.55 129.47 56.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -70.1 129.88 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.476 ' CE ' ' HA ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -63.66 -174.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 70.8 70.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.552 ' CD2' ' CG2' ' A' ' 119' ' ' VAL . 0.3 OUTLIER -37.26 147.14 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.543 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.5 Cg_endo -74.95 -35.0 3.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 119' ' ' VAL . 20.0 m-85 -98.57 151.39 20.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.51 92.82 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.767 HG11 ' SG ' ' A' ' 76' ' ' CYS . 4.0 m -147.67 127.84 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.4 160.08 40.24 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.08 23.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.475 HG21 ' CD ' ' A' ' 50' ' ' GLN . 3.5 mt -82.37 132.4 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 89.7 p -158.55 150.26 21.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -110.33 -177.49 20.85 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.34 2.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.492 1.786 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.82 121.63 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 14.3 p -108.9 121.01 44.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.438 1.086 . . . . 0.0 110.961 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -158.8 92.4 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -130.24 140.8 50.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.11 159.04 23.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.135 . . . . 0.0 111.042 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 t -130.19 155.73 45.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.59 129.65 16.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.963 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.03 144.44 8.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -42.5 147.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 11' ' ' VAL . 6.6 p -157.82 58.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 11' ' ' VAL . 33.8 tt0 65.31 -73.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.552 HG23 ' N ' ' A' ' 12' ' ' THR . 31.7 m -40.46 -54.31 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.937 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 2.6 m -60.63 -45.58 93.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -51.79 -50.27 61.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.406 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -63.35 -32.86 74.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.78 HD23 ' HG3' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -50.75 -42.32 57.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.697 HD22 ' O ' ' A' ' 105' ' ' LEU . 90.7 mt -52.89 -22.92 6.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' ARG . 26.0 mm-40 -83.23 -73.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.78 ' HG3' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -36.58 -47.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -57.63 -67.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 108.033 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.37 -35.36 20.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.22 90.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -63.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.988 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.87 HD11 ' HG ' ' A' ' 98' ' ' LEU . 49.9 tp -47.39 -58.15 4.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.85 -59.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -58.21 -47.6 82.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.61 -34.11 13.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.37 -42.17 37.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.45 0.736 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -47.58 69.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 48.6 m-85 -60.98 -54.95 38.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.72 -58.5 5.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.23 -65.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -53.05 -66.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 108.008 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.22 45.82 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -114.96 66.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.416 HD23 ' N ' ' A' ' 35' ' ' LEU . 7.0 mt -52.96 -61.29 2.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.759 HG13 ' H ' ' A' ' 37' ' ' GLU . 1.2 p -40.76 -71.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.759 ' H ' HG13 ' A' ' 36' ' ' VAL . 1.5 mt-10 -48.33 -46.19 36.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -52.8 -64.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.648 HG13 HD12 ' A' ' 84' ' ' LEU . 5.0 mt -41.16 -54.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.509 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -45.78 -54.53 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -50.74 -69.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.581 ' CE1' HD21 ' A' ' 98' ' ' LEU . 21.1 m-85 -43.95 -66.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.531 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 37.2 mt-30 -39.72 -65.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -41.42 -56.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.8 tp -56.33 -40.32 74.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -57.83 -50.05 74.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -58.68 -48.55 80.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 11.9 m170 -53.45 -53.37 52.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.57 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.649 HD22 HG23 ' A' ' 70' ' ' ILE . 60.8 mt -42.2 -48.03 4.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.82 ' CD ' HG21 ' A' ' 122' ' ' ILE . 37.1 mt-30 -58.07 -47.73 82.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -40.15 -31.9 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 50' ' ' GLN . 72.4 mm-40 -95.91 -35.98 11.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -68.73 -66.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.413 ' NE2' ' HG3' ' A' ' 56' ' ' GLN . 4.2 pt20 -63.42 -22.39 66.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.28 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.844 ' HB1' ' H ' ' A' ' 59' ' ' ASN . . . 42.9 74.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' HG3' ' NE2' ' A' ' 54' ' ' GLN . 2.0 mt-30 -44.45 95.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' ALA . 15.7 m170 65.67 59.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 t30 45.56 89.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.844 ' H ' ' HB1' ' A' ' 55' ' ' ALA . 24.4 t-20 -150.29 95.91 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.9 p 175.79 145.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -97.25 -1.39 44.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.937 ' CZ ' HG23 ' A' ' 12' ' ' THR . 67.8 m-85 -90.46 169.58 10.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 111.04 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.447 HG22 ' OE1' ' A' ' 66' ' ' GLN . 9.7 t -98.23 164.37 12.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.12 -56.28 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -44.83 -61.34 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.447 ' OE1' HG22 ' A' ' 63' ' ' THR . 1.3 mp0 -51.17 -56.65 11.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.283 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -47.92 -54.68 11.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -41.96 -62.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.546 HG22 HD11 ' A' ' 108' ' ' ILE . 0.9 OUTLIER -56.67 -54.96 40.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.649 HG23 HD22 ' A' ' 49' ' ' LEU . 91.8 mt -39.6 -44.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.89 -43.66 49.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 69' ' ' THR . 14.7 mttt -57.82 -31.74 66.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.564 ' HB ' HD13 ' A' ' 49' ' ' LEU . 50.4 mt -64.19 -50.54 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.445 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -54.64 -46.31 73.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.483 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 2.1 m -46.2 -52.69 11.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.37 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.979 ' SG ' HG11 ' A' ' 119' ' ' VAL . 69.8 m -53.99 -51.34 64.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 108.256 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.509 HD12 ' CA ' ' A' ' 46' ' ' ALA . 14.9 mt -45.69 -58.97 3.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -43.31 -29.67 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.9 mt -80.87 -54.12 5.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.425 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 20.4 tpt180 -52.07 -58.74 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.55 ' HB3' HG23 ' A' ' 39' ' ' ILE . 48.4 m -51.36 -50.84 58.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.91 -48.24 82.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -43.79 -51.16 7.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.648 HD12 HG13 ' A' ' 39' ' ' ILE . 23.3 mt -53.61 -48.77 68.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -60.36 -40.29 90.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.268 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 p -48.86 160.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 t -42.78 -35.63 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -174.81 -67.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.57 79.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -62.7 -48.71 78.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 176.99 38.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -90.1 -146.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.595 ' CZ ' ' CG ' ' A' ' 97' ' ' ASP . 1.3 t80 -80.79 153.06 27.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.437 ' CD ' ' CG ' ' A' ' 96' ' ' GLU . 1.5 ptpt -110.64 -169.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.789 HD23 HD23 ' A' ' 98' ' ' LEU . 0.9 OUTLIER -83.85 -50.54 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.437 ' CG ' ' CD ' ' A' ' 94' ' ' LYS . 10.5 pt-20 -47.93 -52.95 17.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.615 ' OD1' ' CE2' ' A' ' 117' ' ' PHE . 20.4 t0 -55.43 -37.57 67.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.87 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.2 tp -69.22 -61.49 1.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.5 -20.19 12.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -68.46 -10.99 59.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.486 HD13 HG23 ' A' ' 73' ' ' ILE . 50.7 mt -97.28 -7.96 30.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.537 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -63.61 -49.76 75.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.03 -41.72 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 108' ' ' ILE . 7.5 mt -51.84 -46.11 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.697 ' O ' HD22 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -59.35 -33.53 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -78.82 -40.58 32.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -89.35 16.35 7.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.546 HD11 HG22 ' A' ' 69' ' ' THR . 0.4 OUTLIER -50.32 -50.74 20.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.7 mt -57.68 -53.69 55.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.5 t -86.65 44.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.413 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.602 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 50.3 t80 -105.34 115.0 29.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 113' ' ' LYS . 34.0 m120 -88.74 44.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.602 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 4.2 mttt 44.32 -166.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 73.45 76.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.86 146.01 77.26 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.07 19.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.615 ' CE2' ' OD1' ' A' ' 97' ' ' ASP . 70.1 m-85 -120.88 177.7 5.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -106.18 94.29 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.979 HG11 ' SG ' ' A' ' 76' ' ' CYS . 18.8 m -139.0 131.96 38.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.88 145.1 73.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.74 34.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.82 HG21 ' CD ' ' A' ' 50' ' ' GLN . 4.7 mt -98.75 132.14 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.04 163.81 28.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -103.42 -145.03 14.44 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.486 1.116 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 78.35 2.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.28 123.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.961 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.51 171.55 13.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.997 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.137 . . . . 0.0 111.038 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 m -82.33 127.9 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.983 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -171.58 -60.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.65 -112.53 0.57 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.56 131.59 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m 63.47 145.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.45 95.47 1.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.482 ' HG3' HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -55.7 -45.98 77.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.996 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 11' ' ' VAL . 67.1 m 65.62 32.47 9.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.016 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' VAL . 24.6 tt0 67.57 -59.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.655 HG23 ' H ' ' A' ' 12' ' ' THR . 5.0 m -37.76 -61.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.655 ' H ' HG23 ' A' ' 11' ' ' VAL . 3.1 m -62.94 -50.49 70.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -46.96 -42.25 17.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.0 -36.66 50.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HG ' ' CE3' ' A' ' 19' ' ' TRP . 8.5 tp -67.42 -66.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.42 HD22 ' HB ' ' A' ' 108' ' ' ILE . 72.9 mt -42.3 -28.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' N ' ' C ' ' A' ' 15' ' ' LEU . 21.7 mm-40 -80.5 -68.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.495 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -44.55 -34.75 2.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.784 ' HB3' HD13 ' A' ' 105' ' ' LEU . 4.6 m0 -64.91 -60.98 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 108.011 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.67 -35.35 62.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.71 73.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.8 m -66.81 -62.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.794 HD11 ' HG ' ' A' ' 98' ' ' LEU . 58.3 tp -49.5 -58.48 5.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.425 ' NE ' ' OE2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER -42.88 -60.93 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.327 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -53.5 -34.0 56.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.5 -30.68 78.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' HB2' ' HD2' ' A' ' 99' ' ' LYS . . . -76.82 -28.34 55.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -49.1 77.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CE1' ' OE1' ' A' ' 37' ' ' GLU . 27.9 m-85 -61.35 -52.37 64.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -45.31 -61.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.64 -72.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 3.2 m0 -48.53 -72.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 107.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 152.41 43.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.49 ' CB ' ' HB3' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -108.5 49.04 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.323 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.516 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 4.3 mt -42.52 -52.2 4.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.752 HG13 ' H ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -40.68 -72.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.752 ' H ' HG13 ' A' ' 36' ' ' VAL . 12.5 mt-10 -51.11 -40.65 58.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -53.37 -54.78 31.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.623 HG23 ' HB3' ' A' ' 81' ' ' SER . 6.2 mt -54.69 -47.35 73.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.482 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -55.16 -56.2 22.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -49.76 -66.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.736 ' CE1' HD21 ' A' ' 98' ' ' LEU . 21.5 m-85 -45.21 -64.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.627 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 62.7 mt-30 -41.74 -64.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -41.36 -62.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.536 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 14.8 tp -51.14 -39.16 55.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -58.79 -48.93 79.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -58.51 -46.92 85.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -55.33 -54.61 41.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.666 HD13 ' HB ' ' A' ' 73' ' ' ILE . 49.0 mt -40.63 -42.13 1.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.632 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 71.0 mt-30 -63.15 -51.29 67.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.87 -31.41 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 50' ' ' GLN . 8.7 mm-40 -96.02 -34.52 11.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.632 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -68.48 -58.97 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 50' ' ' GLN . 7.3 pt20 -83.22 49.44 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.26 -65.05 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.35 167.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -40.15 100.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.563 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.2 t30 176.67 -47.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -166.23 100.14 0.62 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.7 m -167.05 153.07 7.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.04 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -114.91 -34.59 5.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -77.62 167.23 21.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.53 HG22 ' CD ' ' A' ' 66' ' ' GLN . 9.8 t -86.19 165.35 16.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -47.23 -44.13 22.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 68' ' ' LYS . 49.0 mt-10 -59.26 -66.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.53 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.0 OUTLIER -38.19 -62.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.345 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.609 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -51.96 -40.7 61.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -45.15 -48.82 12.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 70' ' ' ILE . 0.8 OUTLIER -68.81 -46.68 68.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.354 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 67' ' ' LYS . 18.3 mt -39.32 -50.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.498 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -68.18 -49.42 46.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.509 ' HB3' HG23 ' A' ' 119' ' ' VAL . 76.7 mttt -49.51 -34.49 17.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.821 HD13 ' HG ' ' A' ' 105' ' ' LEU . 77.0 mt -63.64 -54.91 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.464 ' HB3' HD13 ' A' ' 122' ' ' ILE . . . -46.63 -49.39 19.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.402 ' OG1' HD11 ' A' ' 122' ' ' ILE . 2.1 m -46.25 -54.42 8.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.457 ' SG ' HG21 ' A' ' 119' ' ' VAL . 93.1 m -52.12 -52.03 54.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 46' ' ' ALA . 11.0 mt -44.63 -61.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -40.58 -32.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.7 mt -74.76 -56.8 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.621 ' CZ ' HD21 ' A' ' 84' ' ' LEU . 23.1 tpt180 -50.18 -66.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.623 ' HB3' HG23 ' A' ' 39' ' ' ILE . 58.6 m -40.22 -58.99 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 85' ' ' GLN . . . -55.18 -52.47 63.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -40.77 -35.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.621 HD21 ' CZ ' ' A' ' 80' ' ' ARG . 22.7 mt -73.11 -51.11 19.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 82' ' ' ALA . 11.9 mt-30 -59.72 -53.04 62.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.1 134.25 52.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.8 m -144.09 112.44 6.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.44 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.53 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.25 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 91' ' ' GLU . 67.8 p -159.1 80.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.62 93.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 89' ' ' SER . 2.4 tt0 -136.19 9.86 3.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.49 -148.09 0.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.127 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.581 ' CZ ' ' CE1' ' A' ' 117' ' ' PHE . 0.4 OUTLIER -74.14 145.89 43.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.468 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -107.08 -170.15 1.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.724 HD12 HD23 ' A' ' 98' ' ' LEU . 24.2 tp -79.11 -54.28 6.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 10.1 pt-20 -49.79 -44.08 48.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.46 ' HB3' ' CE1' ' A' ' 117' ' ' PHE . 74.7 m-20 -66.15 -26.24 67.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.794 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.8 tp -78.08 -46.65 20.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.411 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -64.28 -13.1 47.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.246 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -70.52 -7.43 43.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.719 HD13 HG23 ' A' ' 73' ' ' ILE . 60.6 mt -102.67 -7.07 22.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -63.05 -50.31 77.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -74.96 -35.55 3.11 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.707 HG23 ' CD2' ' A' ' 111' ' ' TYR . 64.6 mt -57.14 -44.28 83.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.821 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.5 mt -71.77 -35.34 70.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -67.25 -53.58 28.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 111' ' ' TYR . 32.0 m-80 -92.02 31.34 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.715 HG13 HD23 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -48.39 -42.65 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.482 HD11 ' HG3' ' A' ' 8' ' ' MET . 52.3 mt -65.43 -48.73 71.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.433 HG23 ' OD1' ' A' ' 107' ' ' ASN . 1.7 t -109.2 55.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.707 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.1 OUTLIER -107.08 140.19 40.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -73.12 118.12 15.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.503 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -63.45 -167.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.467 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.8 tt0 84.68 -45.49 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.569 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.4 OUTLIER 65.71 137.55 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.01 -46.1 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.581 ' CE1' ' CZ ' ' A' ' 93' ' ' PHE . 94.0 m-85 -77.67 135.82 38.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -74.06 66.46 1.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.509 HG23 ' HB3' ' A' ' 72' ' ' LYS . 16.8 m -121.27 141.57 41.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -98.84 167.55 11.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 131.83 14.79 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.532 HG21 ' CD ' ' A' ' 50' ' ' GLN . 1.4 mt -73.32 125.61 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 96.6 p -152.46 159.23 43.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.967 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -83.52 -120.97 0.77 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -36.51 2.52 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.3 m -86.61 108.35 18.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.12 121.43 27.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.535 1.147 . . . . 0.0 110.948 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 p -137.37 100.26 4.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.1 p -140.39 147.06 39.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.74 -137.24 2.28 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -48.5 142.86 5.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.773 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.61 86.0 7.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.07 -137.66 2.43 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 ttm -66.35 135.68 54.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -142.27 62.99 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.014 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 64.81 -75.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 9' ' ' SER . 21.7 m -41.06 -43.81 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 1.043 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 67.7 m -56.0 -50.39 70.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.18 -36.43 63.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m -72.81 -26.57 61.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.702 HD13 ' CH2' ' A' ' 19' ' ' TRP . 4.3 mt -71.29 -62.64 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.624 HD21 ' CG2' ' A' ' 108' ' ' ILE . 33.3 mt -43.95 -27.08 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' A' ' 15' ' ' LEU . 7.3 mm100 -85.47 -70.1 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.488 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -42.81 -34.84 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.778 ' HB3' HD22 ' A' ' 105' ' ' LEU . 8.5 m0 -66.99 -67.7 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 107.968 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -44.41 -33.29 3.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.77 99.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.454 ' HB2' HD22 ' A' ' 45' ' ' LEU . 26.0 m -58.9 -65.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.832 HD11 ' HG ' ' A' ' 98' ' ' LEU . 36.0 tp -43.39 -58.53 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 7.2 mmt180 -44.3 -64.11 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -51.93 -51.16 58.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.263 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.27 -28.88 1.51 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 24' ' ' ARG . . . -80.12 -50.32 10.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -43.21 -47.93 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -62.38 -60.36 3.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -46.78 -59.01 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -39.01 -73.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.951 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -46.16 -72.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.056 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.57 43.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.548 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 12.0 mm100 -112.67 73.6 0.82 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.636 ' O ' HD12 ' A' ' 39' ' ' ILE . 9.5 mt -63.49 -50.89 67.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.1 t -50.15 -68.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -41.1 64.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -56.68 -64.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.946 HG13 HD12 ' A' ' 84' ' ' LEU . 4.8 mt -41.95 -59.47 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.452 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.3 OUTLIER -41.75 -55.5 2.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -48.54 -69.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.409 ' CE1' HD21 ' A' ' 98' ' ' LEU . 19.9 m-85 -43.85 -67.42 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.659 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 45.6 mt-30 -39.08 -64.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 45' ' ' LEU . 1.1 mp -41.63 -61.94 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.537 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 16.0 tp -51.22 -35.93 39.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -62.57 -48.6 78.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -49.85 74.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -52.98 -55.22 25.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.61 HD21 HD21 ' A' ' 105' ' ' LEU . 68.1 mt -41.0 -56.64 2.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.501 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 30.0 mt-30 -47.17 -49.04 23.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.806 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -40.72 -29.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.613 ' HB2' HG21 ' A' ' 70' ' ' ILE . 2.5 mt-10 -94.79 -38.66 10.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.269 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -64.04 -49.55 71.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -93.77 42.82 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.806 ' HB2' ' O ' ' A' ' 51' ' ' LYS . . . -119.52 66.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -59.05 -67.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -139.3 67.61 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.643 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -141.39 -47.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -162.34 -169.25 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 73.82 137.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -116.12 27.67 9.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 1.043 ' CZ ' HG23 ' A' ' 12' ' ' THR . 9.8 m-85 -97.68 143.13 28.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.532 HG22 ' CD ' ' A' ' 66' ' ' GLN . 7.4 t -65.42 179.15 0.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.382 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -68.18 -38.61 82.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' CA ' ' HE2' ' A' ' 113' ' ' LYS . 0.7 OUTLIER -62.73 -41.12 99.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.606 ' CD ' HD23 ' A' ' 109' ' ' LEU . 5.5 mt-30 -68.12 -55.79 11.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.701 ' HA ' HD12 ' A' ' 70' ' ' ILE . 3.8 mtpt -49.1 -52.62 24.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -43.52 -58.6 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.57 ' OG1' ' CE1' ' A' ' 111' ' ' TYR . 2.5 m -57.06 -52.46 65.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 67' ' ' LYS . 71.1 mt -41.37 -47.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.627 ' O ' HD13 ' A' ' 122' ' ' ILE . . . -66.55 -39.89 94.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 3.0 mttt -61.81 -31.07 71.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.935 HD13 ' HG ' ' A' ' 105' ' ' LEU . 89.5 mt -66.69 -53.22 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -50.42 -52.27 39.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.404 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 1.2 m -38.77 -59.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.751 ' HA ' HD22 ' A' ' 79' ' ' LEU . 62.3 m -46.97 -57.24 5.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.578 HD12 ' CA ' ' A' ' 46' ' ' ALA . 5.6 mt -37.99 -63.76 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.67 -43.57 2.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -66.03 -50.97 62.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.499 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 22.5 tpt180 -58.13 -63.76 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.67 ' HB3' HG23 ' A' ' 39' ' ' ILE . 74.0 m -39.99 -55.56 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.001 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.33 -50.53 73.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -40.57 -43.08 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.946 HD12 HG13 ' A' ' 39' ' ' ILE . 11.1 mt -60.99 -54.14 48.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -52.63 -42.02 64.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.32 160.06 4.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.549 ' O ' HG23 ' A' ' 87' ' ' THR . 9.1 t -89.17 39.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 90' ' ' GLN . 22.7 tt0 77.94 -58.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.7 t -51.31 93.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 88' ' ' GLN . 1.7 mt-30 -173.9 -179.57 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -136.08 46.18 2.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.29 -144.61 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.271 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.543 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -85.95 152.72 22.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.978 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.54 -168.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.788 HD23 HD23 ' A' ' 98' ' ' LEU . 1.2 mt -82.22 -51.39 7.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -52.49 -48.54 65.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -62.41 -28.94 70.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.832 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.6 tp -74.15 -51.92 14.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -57.21 -17.59 12.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.39 -5.24 35.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.743 HD23 HD12 ' A' ' 104' ' ' ILE . 56.5 mt -98.91 -3.01 36.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.527 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -67.02 -49.95 44.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.4 Cg_endo -74.99 -33.34 4.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.743 HD12 HD23 ' A' ' 101' ' ' LEU . 96.8 mt -60.27 -51.38 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.935 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -65.13 -32.51 74.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.248 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -70.75 -55.55 8.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 111' ' ' TYR . 31.8 m-80 -92.47 25.91 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.624 ' CG2' HD21 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -45.14 -35.27 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.606 HD23 ' CD ' ' A' ' 66' ' ' GLN . 29.4 mt -76.32 -55.19 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -97.35 48.04 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.57 ' CE1' ' OG1' ' A' ' 69' ' ' THR . 0.0 OUTLIER -107.93 134.47 50.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -69.26 134.3 49.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.417 ' HE2' ' CA ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -66.11 -171.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 62.33 71.24 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.55 ' CD2' ' CG2' ' A' ' 119' ' ' VAL . 0.2 OUTLIER -37.21 150.48 0.15 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.484 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.03 -16.48 20.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -120.48 158.36 27.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -78.02 85.48 4.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.55 ' CG2' ' CD2' ' A' ' 115' ' ' PHE . 3.7 m -135.58 130.54 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -87.49 158.31 51.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 127.07 10.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.627 HD13 ' O ' ' A' ' 71' ' ' GLY . 1.2 mp -45.2 139.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 t 62.94 122.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 174.14 -171.83 44.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 127.9 11.09 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.4 t -61.43 98.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.3 t -46.46 -58.01 4.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.053 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 p 57.72 169.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.76 . . . . 0.0 110.032 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -144.18 -59.75 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.987 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.73 111.16 4.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.29 117.18 32.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 0.779 . . . . 0.0 109.998 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.59 102.99 7.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.478 ' O ' HG21 ' A' ' 12' ' ' THR . . . -88.63 74.33 2.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.581 ' SD ' HD11 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -119.85 118.34 30.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 110.996 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 10' ' ' GLU . 1.5 t -102.85 -38.65 7.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.994 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 9' ' ' SER . 7.3 tt0 159.27 -25.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 m -98.61 -32.08 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.478 HG21 ' O ' ' A' ' 7' ' ' GLY . 11.2 m -47.49 -48.31 27.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.423 1.077 . . . . 0.0 110.428 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -37.21 65.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -31.01 71.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.31 -48.34 61.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.252 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.533 HD11 ' HG ' ' A' ' 109' ' ' LEU . 30.1 mt -55.77 -18.64 8.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 21' ' ' ALA . 1.1 mt-30 -86.33 -64.39 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -48.8 -30.46 5.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.552 ' CZ2' ' HG3' ' A' ' 52' ' ' GLU . 2.9 m0 -70.54 -63.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 108.031 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.25 -19.72 47.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 17' ' ' GLN . . . -76.94 -24.57 52.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -77.4 -59.15 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.897 HD11 ' HG ' ' A' ' 98' ' ' LEU . 32.8 tp -53.94 -59.16 5.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -40.33 -52.86 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -61.79 -48.4 80.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.538 ' HA3' ' CE1' ' A' ' 42' ' ' TYR . . . -45.01 -30.39 2.46 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.504 ' HB2' ' HD2' ' A' ' 99' ' ' LYS . . . -79.73 -44.17 21.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 0.753 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.413 ' O ' ' CD2' ' A' ' 32' ' ' TRP . 1.2 m-20 -54.57 -35.08 62.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -73.11 -54.92 7.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -50.32 -58.69 5.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -38.95 -67.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.0 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CD2' ' O ' ' A' ' 28' ' ' ASP . 9.8 m0 -51.47 -71.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.25 43.56 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 10.6 mm100 -113.04 71.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.42 -51.27 70.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -48.56 -68.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.48 -38.25 63.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -59.8 -57.23 13.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.726 HG13 HD12 ' A' ' 84' ' ' LEU . 7.6 mt -53.02 -60.45 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.418 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -47.09 -54.33 10.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -48.1 -48.45 33.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.538 ' CE1' ' HA3' ' A' ' 26' ' ' GLY . 20.4 m-85 -66.95 -63.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 40.3 mt-30 -42.8 -61.6 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.58 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.3 mp -41.45 -54.94 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.523 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 7.0 tp -61.82 -42.79 99.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.49 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -53.75 -45.98 70.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -63.04 -43.4 98.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.58 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 16.1 m170 -58.71 -51.68 68.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.574 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.64 HD21 HD21 ' A' ' 105' ' ' LEU . 63.5 mt -42.71 -40.93 2.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.547 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 10.4 mt-30 -63.25 -52.47 62.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.26 -29.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.552 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 11.9 mm-40 -96.34 -29.98 13.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -76.74 -64.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' GLN . 4.9 pt20 -73.44 -37.99 65.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 59' ' ' ASN . . . 37.93 86.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -89.61 20.83 3.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.33 -58.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.601 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' SER . 25.8 p-10 -81.92 61.65 5.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.452 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 0.8 OUTLIER -39.29 97.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 58' ' ' ASN . 45.7 p -45.35 138.98 3.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.08 47.27 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -126.22 148.24 49.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 111.059 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.515 HG23 ' HG2' ' A' ' 65' ' ' GLU . 1.7 t -65.55 174.65 2.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.375 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.439 ' N ' ' OG1' ' A' ' 63' ' ' THR . 2.4 tt0 -63.05 -52.58 62.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 63' ' ' THR . 9.9 pt-20 -53.67 -22.52 9.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.468 ' HG3' ' CG2' ' A' ' 63' ' ' THR . 79.7 mt-30 -80.38 -68.79 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -44.83 -41.78 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -48.37 -48.33 36.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.712 HG22 HD11 ' A' ' 108' ' ' ILE . 1.2 m -73.2 -54.85 7.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.5 ' HA ' HD12 ' A' ' 73' ' ' ILE . 86.9 mt -41.43 -49.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.38 -40.69 94.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -61.52 -40.88 96.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.923 HD13 ' HG ' ' A' ' 105' ' ' LEU . 97.1 mt -50.55 -52.86 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -53.44 -55.79 22.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.581 HG21 ' HB ' ' A' ' 119' ' ' VAL . 0.9 OUTLIER -38.29 -53.5 1.48 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 110.381 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 93' ' ' PHE . 92.1 m -52.61 -52.06 57.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 108.288 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.49 HD12 ' CA ' ' A' ' 46' ' ' ALA . 14.8 mt -44.13 -59.45 2.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -42.45 -27.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 76' ' ' CYS . 23.1 mt -79.88 -55.62 4.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.483 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 21.0 tpt180 -52.35 -60.31 3.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.576 ' HB3' HG23 ' A' ' 39' ' ' ILE . 70.9 m -44.01 -59.52 2.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.047 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.51 -51.31 65.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -41.22 -38.08 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.726 HD12 HG13 ' A' ' 39' ' ' ILE . 16.4 mt -69.8 -53.47 18.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -55.49 -39.51 70.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.71 162.88 7.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.0 t -75.88 156.44 34.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.53 90.26 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.9 t -179.85 -46.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.12 171.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -128.5 61.29 1.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -91.95 -147.53 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -73.37 145.34 45.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.413 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -108.75 -169.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.64 HD12 HD23 ' A' ' 98' ' ' LEU . 15.0 tp -79.93 -54.35 5.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 0.6 OUTLIER -51.16 -31.97 21.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.437 ' N ' ' HG3' ' A' ' 96' ' ' GLU . 65.0 m-20 -78.82 -28.53 44.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.897 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -79.06 -45.47 20.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.504 ' HD2' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -64.37 -12.19 40.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.465 ' HD2' ' CG ' ' A' ' 116' ' ' PRO . 0.1 OUTLIER -69.1 -10.54 58.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.506 HD11 ' CB ' ' A' ' 76' ' ' CYS . 11.8 mt -104.82 5.62 33.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.563 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -75.1 -49.48 4.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.02 -34.89 3.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 107' ' ' ASN . 14.6 mt -58.13 -61.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.923 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.9 mt -42.51 -36.22 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.01 -45.91 32.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 111' ' ' TYR . 2.3 m120 -89.93 33.85 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.36 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.712 HD11 HG22 ' A' ' 69' ' ' THR . 1.0 OUTLIER -77.54 -32.35 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.581 HD11 ' SD ' ' A' ' 8' ' ' MET . 26.3 mt -60.06 -51.13 70.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.551 HG23 ' N ' ' A' ' 111' ' ' TYR . 9.0 t -91.23 -55.96 3.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.438 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.616 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 7.1 t80 45.05 -176.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 113' ' ' LYS . 0.7 OUTLIER -168.45 33.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.574 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.5 OUTLIER 39.25 -157.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.81 34.53 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.499 ' HZ ' HD22 ' A' ' 101' ' ' LEU . 0.5 OUTLIER -39.55 147.29 0.33 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.537 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.5 Cg_endo -74.98 -2.13 12.13 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.537 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 46.0 m-85 -133.93 147.48 51.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -89.75 52.64 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.581 ' HB ' HG21 ' A' ' 75' ' ' THR . 7.2 m -91.35 162.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -106.18 157.84 33.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 129.75 12.61 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.7 mt -66.77 115.49 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 67.01 92.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -79.61 178.15 53.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 164.15 33.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.539 1.81 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.88 134.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.26 87.08 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.053 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 p 55.71 168.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -53.73 -58.38 7.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.36 -61.15 0.52 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.16 123.92 0.85 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 0.753 . . . . 0.0 110.033 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m -70.78 131.23 43.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.04 -114.99 1.0 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.7 58.36 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.03 -179.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' HG3' HG23 ' A' ' 11' ' ' VAL . 6.3 pt-20 -104.23 -38.24 6.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.47 HG23 ' HG3' ' A' ' 10' ' ' GLU . 39.1 t -77.34 -52.4 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.4 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 37.3 m -50.83 -48.56 59.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -52.34 -57.7 8.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.98 -33.9 11.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.657 HD13 ' CH2' ' A' ' 19' ' ' TRP . 1.5 mt -70.83 -57.09 4.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 55.8 mt -54.66 -19.63 6.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -93.41 -60.02 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -51.79 -32.48 31.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.657 ' CH2' HD13 ' A' ' 15' ' ' LEU . 8.4 m0 -67.1 -65.0 0.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -47.86 -26.49 4.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.55 -41.34 84.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -59.8 -64.21 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.793 HD11 ' HG ' ' A' ' 98' ' ' LEU . 24.2 tp -47.85 -55.15 10.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -42.81 -50.31 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.52 -47.01 68.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 110.343 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.8 -26.09 7.74 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.42 -40.04 14.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.28 -43.08 87.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 25.1 m-85 -62.87 -57.3 11.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -48.0 -54.92 11.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -43.04 -70.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -47.05 -72.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 108.018 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.43 43.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 14.1 mm100 -115.68 72.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.503 HD23 ' N ' ' A' ' 35' ' ' LEU . 3.8 mt -63.75 -52.25 61.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.2 t -50.1 -57.69 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.577 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.8 mt-10 -62.17 -35.42 78.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -61.09 -63.57 1.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.619 HG13 HD12 ' A' ' 84' ' ' LEU . 4.2 mt -44.12 -54.84 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.1 t70 -41.92 -53.04 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -52.05 -65.5 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.515 ' CE1' HD21 ' A' ' 98' ' ' LEU . 22.3 m-30 -45.96 -62.76 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.983 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.635 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 38.8 mt-30 -45.77 -67.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.413 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.1 mp -41.44 -61.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.412 ' N ' HG22 ' A' ' 44' ' ' ILE . 15.3 tp -51.38 -36.3 42.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -63.1 -42.82 99.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.47 ' HE ' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -60.26 -46.13 90.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -57.79 -54.48 46.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 0.0 109.627 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.531 ' CD2' HG23 ' A' ' 70' ' ' ILE . 93.3 mt -41.8 -46.53 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.63 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 17.0 mt-30 -59.97 -51.4 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.34 -32.07 1.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -96.69 -26.24 15.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.63 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -79.27 -73.08 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 55' ' ' ALA . 9.9 pt20 -84.52 -38.7 19.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 54' ' ' GLN . . . 63.06 121.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -39.39 -62.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.312 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -115.48 -73.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.611 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -167.5 91.91 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -157.16 89.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 73.4 p -166.85 118.8 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -90.15 39.44 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.413 ' HA ' ' OE1' ' A' ' 66' ' ' GLN . 67.7 m-85 -122.56 162.2 22.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 111.039 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.1 t -98.16 158.06 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HA ' ' CG ' ' A' ' 67' ' ' LYS . 16.1 mt-10 -39.91 -40.93 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -62.21 -50.18 72.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.634 ' NE2' HD23 ' A' ' 109' ' ' LEU . 31.2 mt-30 -61.8 -65.12 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.626 ' HA ' HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -46.17 -45.53 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 67' ' ' LYS . 4.7 mmtm -40.1 -66.64 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.616 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 17.5 m -54.77 -55.66 27.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.448 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.656 ' HA ' HD12 ' A' ' 73' ' ' ILE . 27.5 mt -38.97 -47.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.414 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -64.36 -43.89 96.19 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' THR . 25.7 mttt -60.96 -46.46 90.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.792 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.946 HD13 ' HG ' ' A' ' 105' ' ' LEU . 46.0 mt -49.54 -53.46 9.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.483 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -51.33 -58.63 5.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.495 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 1.3 m -38.5 -50.15 1.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.812 ' SG ' HG11 ' A' ' 119' ' ' VAL . 99.0 m -55.42 -53.36 57.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.528 HD12 ' CA ' ' A' ' 46' ' ' ALA . 10.0 mt -41.94 -62.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -38.99 -33.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 76' ' ' CYS . 23.9 mt -73.14 -57.68 3.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.677 ' NH2' HD13 ' A' ' 95' ' ' LEU . 29.8 tpt180 -46.73 -67.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.581 ' HB3' HG23 ' A' ' 39' ' ' ILE . 68.9 m -44.77 -66.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -43.04 -55.37 3.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -41.82 -46.5 3.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.619 HD12 HG13 ' A' ' 39' ' ' ILE . 9.2 mt -61.72 -54.06 47.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.409 ' NE2' ' HB3' ' A' ' 81' ' ' SER . 9.6 mt-30 -52.57 -47.23 66.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.22 -175.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.667 HG23 ' N ' ' A' ' 88' ' ' GLN . 0.7 OUTLIER -176.22 -168.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.392 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.667 ' N ' HG23 ' A' ' 87' ' ' THR . 1.8 mm100 55.82 85.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.74 89.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -91.77 151.14 20.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.29 22.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 10.2 mp0 -88.69 -147.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.82 142.76 46.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -107.72 -169.86 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.677 HD13 ' NH2' ' A' ' 80' ' ' ARG . 13.5 tp -78.04 -54.69 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 9.1 pt-20 -48.65 -40.02 26.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.433 ' N ' ' HG3' ' A' ' 96' ' ' GLU . 55.3 m-20 -72.17 -28.99 63.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.793 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -78.06 -50.02 12.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -20.0 4.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -8.98 38.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.663 HD23 HD12 ' A' ' 104' ' ' ILE . 98.2 mt -94.78 -3.81 48.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.543 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -71.17 -49.29 12.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.5 Cg_endo -74.99 -29.03 8.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.663 HD12 HD23 ' A' ' 101' ' ' LEU . 18.3 mt -63.46 -70.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.946 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.1 mt -42.62 -32.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -46.52 19.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 104' ' ' ILE . 5.3 m-80 -88.39 22.45 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.3 OUTLIER -51.82 -51.08 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.634 HD23 ' NE2' ' A' ' 66' ' ' GLN . 30.8 mt -62.49 -42.65 99.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.437 HG23 ' OD1' ' A' ' 107' ' ' ASN . 1.4 t -96.98 46.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.616 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 45.6 t80 -108.12 120.53 42.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 113' ' ' LYS . 3.3 m-20 -100.13 44.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.609 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.6 OUTLIER 43.44 -166.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.45 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 3.9 tt0 82.59 48.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.602 ' CD1' ' OH ' ' A' ' 111' ' ' TYR . 0.2 OUTLIER -46.02 143.95 3.18 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.571 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.4 Cg_endo -74.98 -12.04 21.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 19.8 m-85 -125.25 152.31 44.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -78.57 91.82 4.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.812 HG11 ' SG ' ' A' ' 76' ' ' CYS . 4.4 m -139.3 132.07 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.07 156.67 43.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 132.47 15.47 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.481 1.78 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.495 ' CD1' ' OG1' ' A' ' 75' ' ' THR . 2.3 mt -77.34 130.54 36.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 93.4 p -147.32 161.99 39.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -131.1 171.07 21.14 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 69.31 5.54 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 51.9 p -134.59 158.72 43.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.08 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.07 134.66 46.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.3 p -106.46 140.06 39.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 0.781 . . . . 0.0 109.967 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.35 86.64 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.949 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.17 -138.87 3.61 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t 53.73 93.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 109.964 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 p -108.35 153.29 23.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.76 -138.81 4.73 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.487 ' CG ' ' O ' ' A' ' 8' ' ' MET . 0.6 OUTLIER -78.95 65.49 4.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 0.0 111.013 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 m 50.53 -175.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -107.47 -36.4 6.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.5 t -68.91 -47.77 74.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.56 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 98.4 m -60.83 -49.72 76.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -54.83 -47.78 73.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 t -59.05 -30.85 68.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.751 HD13 ' CH2' ' A' ' 19' ' ' TRP . 1.4 mt -64.99 -53.14 50.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.48 -16.17 22.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -92.84 -56.41 3.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.44 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -56.99 -34.15 67.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.751 ' CH2' HD13 ' A' ' 15' ' ' LEU . 8.0 m0 -64.98 -62.68 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 108.041 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.4 -33.2 24.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.1 50.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.405 ' HB2' HD22 ' A' ' 45' ' ' LEU . 38.9 m -48.4 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.689 HD23 ' HB2' ' A' ' 102' ' ' GLU . 42.3 tp -41.19 -54.21 2.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.58 -61.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.46 ' CG ' ' OD2' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -56.13 -51.89 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.266 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.43 -29.0 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . -83.13 -48.76 10.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.46 ' OD2' ' CG ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -46.33 -39.88 10.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -67.01 -62.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.19 -56.44 6.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.88 -58.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -64.39 -49.47 71.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 108.026 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.06 44.31 0.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.426 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 9.5 mm100 -111.95 72.11 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.777 . . . . 0.0 110.245 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.415 ' O ' HD12 ' A' ' 39' ' ' ILE . 8.2 mt -62.28 -51.17 68.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.6 t -47.75 -66.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.3 -43.15 74.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -54.88 -57.92 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.73 HG23 ' HB3' ' A' ' 81' ' ' SER . 6.1 mt -45.82 -57.66 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -55.79 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -49.0 -66.12 0.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -47.19 -58.87 3.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 111.026 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.681 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 46.7 mt-30 -47.41 -66.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 45' ' ' LEU . 1.3 mp -41.33 -62.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.486 ' N ' HG22 ' A' ' 44' ' ' ILE . 27.3 tp -49.1 -36.89 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -61.32 -52.78 63.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -51.75 -49.32 62.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' LEU . 94.8 m-70 -52.65 -57.54 9.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 109.625 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.703 HD13 ' HB ' ' A' ' 73' ' ' ILE . 24.4 mt -40.34 -47.3 2.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.593 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 52.5 mt-30 -57.23 -50.76 71.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.546 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 2.5 tptt -40.15 -30.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 50' ' ' GLN . 7.1 mm-40 -96.17 -36.35 10.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.593 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -67.41 -64.26 0.89 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.439 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 2.9 pt20 -57.44 -21.98 40.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 51' ' ' LYS . . . -97.38 101.49 13.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -78.42 -62.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -104.7 -58.22 1.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.589 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -42.64 111.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.2 m120 43.54 89.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.0 p 175.05 115.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -105.54 42.57 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CZ ' HG23 ' A' ' 12' ' ' THR . 60.1 m-85 -126.9 152.57 46.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.545 HG22 ' CD ' ' A' ' 66' ' ' GLN . 9.0 t -80.91 158.87 25.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' THR . 2.2 tt0 -39.04 -54.8 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 66' ' ' GLN . 66.8 mt-10 -52.42 -62.68 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.67 ' NE2' HD23 ' A' ' 109' ' ' LEU . 1.4 mt-30 -38.41 -67.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 64' ' ' GLU . 6.0 ptmm? -51.52 -40.76 60.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.9 -66.24 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.544 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.0 OUTLIER -55.05 -49.98 70.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.663 HG23 HD22 ' A' ' 49' ' ' LEU . 43.8 mt -40.39 -48.52 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.477 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -63.61 -57.71 13.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -41.76 -48.73 4.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.703 ' HB ' HD13 ' A' ' 49' ' ' LEU . 79.0 mt -47.39 -55.41 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.629 ' HB3' ' CD1' ' A' ' 122' ' ' ILE . . . -50.38 -57.69 7.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.359 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -40.55 -52.71 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.793 ' SG ' HG11 ' A' ' 119' ' ' VAL . 7.1 m -53.33 -51.2 63.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.326 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' A' ' 46' ' ' ALA . 15.9 mt -45.54 -58.44 3.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -42.91 -29.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.0 mt -76.37 -48.75 18.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.412 ' NH2' ' HB2' ' A' ' 95' ' ' LEU . 28.0 tpt180 -59.25 -67.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.277 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.73 ' HB3' HG23 ' A' ' 39' ' ' ILE . 73.2 m -40.25 -53.75 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.95 -51.9 66.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -43.23 -34.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.607 HD12 HG13 ' A' ' 39' ' ' ILE . 31.4 mt -72.56 -52.46 15.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -55.64 -40.25 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.8 104.6 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.3 t -81.48 -28.92 33.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -86.33 -90.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.0 t -161.17 161.78 31.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER 173.46 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 90' ' ' GLN . 3.6 tt0 38.67 62.76 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.35 -0.44 57.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.586 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.5 OUTLIER 176.81 141.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -105.95 -170.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.546 HD12 ' CD2' ' A' ' 98' ' ' LEU . 39.7 tp -80.43 -53.06 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 6.3 pt-20 -50.43 -53.87 26.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.476 ' CG ' ' CZ ' ' A' ' 117' ' ' PHE . 67.3 m-20 -50.77 -32.91 21.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.682 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -74.87 -47.27 31.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.275 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.491 ' CD ' ' HG ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -57.87 -16.58 12.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -75.77 -1.86 27.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.565 HD22 ' HZ ' ' A' ' 115' ' ' PHE . 34.2 mt -102.57 -0.46 32.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.689 ' HB2' HD23 ' A' ' 23' ' ' LEU . 1.2 tt0 -74.35 -51.72 4.32 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -74.99 -29.16 8.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 111.04 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.491 HG23 ' CD1' ' A' ' 111' ' ' TYR . 20.6 mt -61.88 -42.2 93.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.633 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.8 mt -73.24 -33.91 65.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -69.53 -52.1 29.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 111' ' ' TYR . 65.4 m-20 -91.99 30.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -50.39 -49.39 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.242 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.67 HD23 ' NE2' ' A' ' 66' ' ' GLN . 29.7 mt -61.05 -47.03 88.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.3 t -106.29 52.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.544 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 0.7 OUTLIER -111.01 132.22 54.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.36 115.26 11.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.455 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -53.25 -173.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 115' ' ' PHE . 2.9 mt-10 67.19 66.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.343 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.565 ' HZ ' HD22 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -36.94 149.03 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.522 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.3 Cg_endo -75.04 -26.3 10.98 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.611 ' O ' HG22 ' A' ' 119' ' ' VAL . 83.0 m-85 -105.15 143.67 33.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -65.33 80.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.793 HG11 ' SG ' ' A' ' 76' ' ' CYS . 9.2 m -136.67 134.55 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -97.13 159.39 31.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 132.28 15.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.426 1.751 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.629 ' CD1' ' HB3' ' A' ' 74' ' ' ALA . 3.2 mt -65.64 136.48 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.6 m 39.99 90.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -84.26 -172.7 49.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 159.31 41.4 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.502 1.79 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.18 135.29 25.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 79.6 p -72.97 144.55 47.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.939 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.938 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.69 170.37 14.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 p -120.97 111.81 17.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.028 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.62 133.03 31.08 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.577 1.173 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.87 86.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 0.731 . . . . 0.0 110.048 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m -69.1 156.99 37.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.037 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.62 -59.02 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.437 1.085 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.481 ' CG ' ' O ' ' A' ' 8' ' ' MET . 3.5 ttt 54.22 56.61 6.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 0.805 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.18 166.03 0.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.3 -31.65 14.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.2 m -79.15 -37.1 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.422 ' CG2' ' HA ' ' A' ' 8' ' ' MET . 85.4 m -65.15 -57.01 9.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -52.17 -37.61 55.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -34.83 68.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.024 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HG ' ' CZ3' ' A' ' 19' ' ' TRP . 7.6 tp -66.68 -67.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.511 ' CD1' HD11 ' A' ' 109' ' ' LEU . 90.9 mt -39.74 -29.78 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' LEU . 1.6 tt0 -83.86 -69.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.2 OUTLIER -40.51 -28.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.452 ' CZ3' ' HG ' ' A' ' 15' ' ' LEU . 6.1 m0 -69.98 -66.05 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 107.973 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.53 -35.66 29.69 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.28 -28.19 66.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 0.786 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.97 -43.97 32.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.812 HD11 ' HG ' ' A' ' 98' ' ' LEU . 21.1 tp -69.43 -53.37 19.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.89 -28.29 35.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 -43.59 10.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.23 -18.72 21.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.22 -36.54 19.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.56 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . 61.7 m-20 -50.73 -44.06 58.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.529 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 26.1 m-85 -59.08 -60.48 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' SER . 0.6 OUTLIER -43.14 -64.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -39.35 -56.88 1.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.049 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.56 ' CZ2' ' HB3' ' A' ' 28' ' ' ASP . 16.5 m0 -61.87 -74.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 156.11 43.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -115.7 63.74 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 0.767 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.434 HD23 ' N ' ' A' ' 35' ' ' LEU . 6.1 mt -52.06 -53.04 46.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -45.28 -67.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.529 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.4 mt-10 -51.1 -43.8 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -52.73 -64.84 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.618 HG13 HD12 ' A' ' 84' ' ' LEU . 11.8 mt -40.53 -68.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -41.03 -51.21 3.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -50.29 -57.11 8.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.335 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.518 ' CE1' HD21 ' A' ' 98' ' ' LEU . 21.1 m-85 -58.46 -51.53 69.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.407 ' NE2' ' CG2' ' A' ' 39' ' ' ILE . 84.0 mt-30 -52.83 -59.37 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.589 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.4 mp -44.74 -53.99 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.07 -42.85 91.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.579 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -58.89 -50.95 72.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -54.01 -47.44 71.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 13.7 m170 -54.37 -52.59 61.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD22 HG23 ' A' ' 70' ' ' ILE . 77.5 mt -40.57 -51.22 2.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.551 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 7.4 mt-30 -52.07 -49.11 64.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLN . 3.8 tptt -40.1 -30.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.571 ' HB2' HG21 ' A' ' 70' ' ' ILE . 17.4 mm-40 -95.82 -38.02 10.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.551 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -66.3 -62.22 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' GLN . 2.8 pt20 -69.8 -26.17 64.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.795 ' HB1' ' H ' ' A' ' 59' ' ' ASN . . . 47.31 84.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -41.52 107.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.7 m80 51.64 52.59 14.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.589 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 49.43 93.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.795 ' H ' ' HB1' ' A' ' 55' ' ' ALA . 1.2 t30 -157.82 104.99 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t 169.74 141.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 110.016 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -100.04 39.01 1.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -123.59 151.09 43.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.664 HG23 ' HG2' ' A' ' 65' ' ' GLU . 0.7 OUTLIER -76.44 156.91 32.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.65 -55.62 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.664 ' HG2' HG23 ' A' ' 63' ' ' THR . 7.6 pt-20 -43.38 -42.01 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.415 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 31.0 mt-30 -70.9 -55.82 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -52.59 -44.5 65.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -44.15 71.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.525 HG22 HD11 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -74.49 -49.06 23.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.571 HG21 ' HB2' ' A' ' 52' ' ' GLU . 58.3 mt -39.83 -43.68 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.45 -55.01 20.0 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.434 1.084 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -47.69 -42.54 25.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 0.773 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.855 HD13 ' HG ' ' A' ' 105' ' ' LEU . 68.2 mt -51.44 -41.45 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.609 ' HB3' HD13 ' A' ' 122' ' ' ILE . . . -67.7 -50.57 56.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.439 ' N ' HD13 ' A' ' 122' ' ' ILE . 54.1 m -37.61 -51.27 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.437 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.842 ' HA ' HD22 ' A' ' 79' ' ' LEU . 92.7 m -55.11 -55.4 31.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 108.335 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.579 HD12 ' HB2' ' A' ' 46' ' ' ALA . 7.5 mt -38.2 -62.75 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -39.06 -44.44 1.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.842 HD22 ' HA ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -65.12 -49.53 69.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' A' ' 94' ' ' LYS . 14.4 tpt180 -57.62 -61.26 2.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.529 ' HB3' HG23 ' A' ' 39' ' ' ILE . 3.6 m -45.02 -49.63 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.25 -51.63 65.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -40.85 -43.94 2.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.618 HD12 HG13 ' A' ' 39' ' ' ILE . 17.8 mt -58.79 -52.23 66.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -58.14 -50.51 73.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.25 160.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.4 m -57.33 92.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 68.27 -75.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.7 85.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.041 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.04 -91.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -148.12 38.78 0.9 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.436 ' N ' ' CD ' ' A' ' 92' ' ' GLU . 6.9 mp0 -96.19 -140.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.247 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.572 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -87.88 150.12 23.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.423 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -108.44 -169.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.773 HD23 HD23 ' A' ' 98' ' ' LEU . 1.7 mt -80.99 -51.56 8.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.406 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 8.7 pt-20 -52.04 -46.03 64.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -65.91 -30.49 71.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.812 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.4 tp -73.81 -55.13 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -16.88 17.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.91 -8.02 45.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.925 HD23 HD12 ' A' ' 104' ' ' ILE . 81.0 mt -99.19 -9.52 23.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.642 ' HG2' HD23 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -59.31 -49.37 93.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.01 -34.68 3.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.925 HD12 HD23 ' A' ' 101' ' ' LEU . 66.9 mt -59.76 -49.1 85.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.855 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.6 mt -66.33 -35.05 79.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.15 -57.05 6.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 111' ' ' TYR . 7.1 m-80 -92.54 31.57 1.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.525 HD11 HG22 ' A' ' 69' ' ' THR . 0.3 OUTLIER -48.5 -32.53 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.511 HD11 ' CD1' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -76.05 -55.33 5.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.3 t -98.33 45.78 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.541 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 0.3 OUTLIER -105.37 144.27 32.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.958 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.96 113.43 15.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.541 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -60.69 -166.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.7 tm-20 84.18 -44.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.511 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.2 OUTLIER 70.94 137.25 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.969 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.511 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.4 Cg_endo -74.98 -44.38 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -79.29 -33.02 43.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.34 90.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.764 HG21 ' SG ' ' A' ' 76' ' ' CYS . 3.8 m -127.07 122.55 60.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 119' ' ' VAL . 0.6 OUTLIER -37.92 156.28 0.1 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.335 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 149.9 37.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.503 1.791 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.609 HD13 ' HB3' ' A' ' 74' ' ' ALA . 1.2 tp -52.92 131.49 14.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.8 m 63.54 150.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -85.44 -138.71 4.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -36.94 2.26 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.34 82.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.977 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.9 m 54.39 171.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -104.07 -58.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.997 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.11 144.63 20.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.0 178.07 20.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.8 p -175.56 116.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 110.0 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -56.08 -61.56 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.96 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.45 -92.35 1.9 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.113 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.26 65.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 111.023 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER 59.72 -87.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 9' ' ' SER . 13.0 tt0 167.83 -38.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.63 -39.26 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.527 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 3.9 m -56.79 -45.96 81.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.408 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -39.84 69.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.76 -29.85 70.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.75 HD22 ' CE2' ' A' ' 19' ' ' TRP . 5.3 mt -70.17 -68.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' LEU . 43.0 mt -40.5 -29.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 15' ' ' LEU . 1.2 tt0 -86.26 -68.07 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -44.09 -34.17 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.75 ' CE2' HD22 ' A' ' 15' ' ' LEU . 10.0 m0 -68.66 -64.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.79 -25.41 4.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.05 -36.7 61.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 19' ' ' TRP . 0.6 OUTLIER -62.42 -57.76 10.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.719 HD11 ' HG ' ' A' ' 98' ' ' LEU . 57.7 tp -53.48 -60.58 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.73 -55.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 28' ' ' ASP . 4.2 ttt180 -57.77 -46.87 83.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.13 -32.67 9.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.9 -34.95 59.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.563 ' OD1' ' CZ2' ' A' ' 32' ' ' TRP . 1.8 t0 -51.48 -53.07 41.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.517 ' HB3' ' CB ' ' A' ' 34' ' ' GLN . 62.4 m-85 -62.69 -54.17 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -46.57 -60.81 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.26 -72.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.563 ' CZ2' ' OD1' ' A' ' 28' ' ' ASP . 12.1 m0 -47.03 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.38 43.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.517 ' CB ' ' HB3' ' A' ' 29' ' ' PHE . 11.8 mt-30 -111.18 49.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.741 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.493 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 5.1 mt -39.98 -55.56 2.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.745 HG13 ' H ' ' A' ' 37' ' ' GLU . 1.1 p -40.31 -72.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.745 ' H ' HG13 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -50.64 -44.87 57.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -48.55 -64.18 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 81' ' ' SER . 14.4 mt -45.06 -57.29 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.127 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.65 -65.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 0.8 OUTLIER -43.22 -68.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.485 ' HE1' HD12 ' A' ' 23' ' ' LEU . 19.3 m-85 -42.49 -65.24 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.588 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 29.6 mt-30 -41.87 -67.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 45' ' ' LEU . 1.1 mp -40.23 -59.7 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 22.7 tp -53.64 -40.02 65.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.646 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -57.67 -46.6 84.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.24 -52.92 63.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -48.75 -51.32 29.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.52 HD22 HG23 ' A' ' 70' ' ' ILE . 76.8 mt -44.34 -44.58 8.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.524 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 14.9 mt-30 -56.89 -50.58 72.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -41.97 -28.79 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.587 ' OE1' ' CD1' ' A' ' 62' ' ' PHE . 2.2 mt-10 -96.0 -35.65 11.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -69.84 -59.07 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' GLN . 3.8 pt20 -105.29 42.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.689 ' HB1' ' O ' ' A' ' 58' ' ' ASN . . . -51.46 95.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.05 -67.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.57 -56.71 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.569 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.689 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 9.1 p-10 -109.15 166.96 10.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -117.74 98.02 6.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.1 p -39.27 156.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.969 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -90.88 24.9 2.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.587 ' CD1' ' OE1' ' A' ' 52' ' ' GLU . 27.6 m-85 -109.38 155.32 21.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.472 HG23 ' H ' ' A' ' 66' ' ' GLN . 10.1 t -72.4 -168.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.441 ' N ' ' OG1' ' A' ' 63' ' ' THR . 4.9 mt-10 -82.33 -42.4 18.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -64.95 -22.33 66.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.472 ' H ' HG23 ' A' ' 63' ' ' THR . 71.6 mt-30 -82.54 -65.87 0.96 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -43.63 3.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -43.59 -64.19 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.02 -50.79 69.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.386 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.618 ' HA ' HD12 ' A' ' 73' ' ' ILE . 18.8 mt -40.21 -46.77 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.2 -44.28 67.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -58.3 -34.99 71.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.353 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.946 HD13 ' HG ' ' A' ' 105' ' ' LEU . 94.8 mt -57.26 -53.44 43.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -56.02 -55.12 36.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.545 ' OG1' HD12 ' A' ' 122' ' ' ILE . 2.7 m -38.58 -52.97 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.911 ' SG ' HG11 ' A' ' 119' ' ' VAL . 88.9 m -52.83 -49.76 65.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 108.287 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.646 HD12 ' HB2' ' A' ' 46' ' ' ALA . 18.3 mt -46.59 -57.09 5.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.86 -25.82 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.288 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.405 ' N ' ' C ' ' A' ' 77' ' ' LEU . 19.7 mt -81.36 -54.31 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.425 ' CZ ' HD21 ' A' ' 84' ' ' LEU . 32.3 tpt180 -56.01 -65.43 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.61 ' HB3' HG23 ' A' ' 39' ' ' ILE . 72.6 m -41.6 -53.52 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.82 -49.42 77.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -47.74 -37.84 14.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.425 HD21 ' CZ ' ' A' ' 80' ' ' ARG . 30.2 mt -68.18 -49.56 60.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.414 ' HG3' ' CD1' ' A' ' 39' ' ' ILE . 17.7 mt-30 -62.54 -50.48 71.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.0 t -47.82 113.98 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 16.3 m -71.67 -69.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -39.4 138.52 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.0 t -39.54 104.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.67 152.72 41.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -160.37 71.02 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.97 -1.26 31.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.9 OUTLIER 177.76 96.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.488 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -54.26 -171.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.359 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.475 ' HG ' ' CD ' ' A' ' 99' ' ' LYS . 18.2 tp -80.57 -59.18 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.488 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 12.5 pt-20 -45.64 -44.4 13.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.487 ' CG ' ' CE1' ' A' ' 117' ' ' PHE . 18.7 m-20 -55.49 -35.01 65.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.719 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -74.67 -51.37 14.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.475 ' CD ' ' HG ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -53.47 -21.21 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 96' ' ' GLU . 11.1 mmtt -69.33 -8.28 44.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.518 HD22 ' HZ ' ' A' ' 115' ' ' PHE . 27.8 mt -98.93 0.41 43.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.528 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -73.83 -49.74 5.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -74.99 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.661 HG23 ' CD1' ' A' ' 111' ' ' TYR . 82.2 mt -47.1 -40.74 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.946 ' HG ' HD13 ' A' ' 73' ' ' ILE . 3.9 mt -69.76 -33.74 72.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' PRO . 22.5 mtmt -73.58 -50.78 19.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 111' ' ' TYR . 59.4 m-80 -90.27 31.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -34.11 39.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.98 -44.21 63.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.9 t -115.18 54.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.661 ' CD1' HG23 ' A' ' 104' ' ' ILE . 1.0 OUTLIER -107.91 135.34 49.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 113' ' ' LYS . 1.2 m-20 -76.91 117.1 18.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.451 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -55.01 -169.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' PHE . 0.4 OUTLIER 67.03 62.79 0.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.235 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.518 ' HZ ' HD22 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -36.91 148.36 0.19 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.51 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -74.99 -25.23 12.07 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.487 1.783 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.487 ' CE1' ' CG ' ' A' ' 97' ' ' ASP . 61.5 m-85 -111.52 142.82 43.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -71.86 90.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.911 HG11 ' SG ' ' A' ' 76' ' ' CYS . 32.7 m -132.76 138.3 52.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.27 159.1 48.35 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 142.75 28.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.545 HD12 ' OG1' ' A' ' 75' ' ' THR . 0.9 OUTLIER -54.21 145.16 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.47 132.12 4.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -168.03 157.12 29.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 157.4 42.81 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.506 1.793 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.77 123.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.66 110.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.945 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 p -75.83 168.4 20.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 t 62.67 95.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.43 -141.86 7.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -139.77 87.23 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 0.735 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -173.81 133.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.46 -140.08 6.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.1 ttp -102.65 136.89 41.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 111.055 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.18 -175.01 2.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -69.54 -47.62 63.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 110.295 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.1 m -60.5 -39.19 80.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.898 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 31.7 m -61.32 -39.29 89.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.45 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -67.83 -33.42 74.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.2 t -79.04 -23.41 44.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.974 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.697 HD13 ' CH2' ' A' ' 19' ' ' TRP . 1.9 mt -71.43 -57.09 4.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.748 HD22 ' O ' ' A' ' 105' ' ' LEU . 56.9 mt -49.61 -26.19 3.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -84.9 -70.54 0.57 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.453 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -41.36 -33.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.301 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.697 ' CH2' HD13 ' A' ' 15' ' ' LEU . 5.9 m0 -68.58 -66.0 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.48 -30.11 8.01 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 -34.27 76.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 19' ' ' TRP . 0.4 OUTLIER -64.88 -61.82 1.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.746 HD11 ' HG ' ' A' ' 98' ' ' LEU . 56.7 tp -51.64 -58.43 6.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -37.87 -47.55 1.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' ASP . 0.4 OUTLIER -65.61 -48.46 72.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -46.94 -28.39 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.0 -37.05 40.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -64.84 -41.0 96.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.585 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 15.7 m-85 -68.02 -56.54 8.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' OD2' ' NH2' ' A' ' 80' ' ' ARG . 10.2 t70 -53.36 -60.5 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -41.47 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.502 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 27.2 m0 -44.68 -70.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 108.051 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.95 43.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 35' ' ' LEU . 0.6 OUTLIER -115.37 45.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 34' ' ' GLN . 4.1 mt -36.45 -43.13 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -54.21 -63.38 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.585 ' OE1' ' CZ ' ' A' ' 29' ' ' PHE . 6.7 mt-10 -57.57 -36.66 71.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.68 -57.2 14.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.765 HG13 HD12 ' A' ' 84' ' ' LEU . 43.6 mt -52.12 -67.33 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.418 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.1 OUTLIER -40.13 -53.0 2.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.604 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 6.1 tm-20 -49.35 -62.29 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.604 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 20.7 m-85 -53.02 -53.44 50.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.534 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 95.5 mt-30 -48.7 -60.45 2.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.418 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 1.2 mp -46.02 -61.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.532 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 21.2 tp -50.64 -40.72 53.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.36 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -59.21 -52.07 67.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -50.88 65.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.402 ' CD2' HG23 ' A' ' 44' ' ' ILE . 91.2 m-70 -52.56 -54.98 25.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.631 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.619 HD22 HG23 ' A' ' 70' ' ' ILE . 76.6 mt -40.73 -36.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.525 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 32.3 mt-30 -69.16 -52.95 22.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 3.3 tptt -42.0 -28.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 50' ' ' GLN . 57.5 mm-40 -95.86 -35.09 11.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.525 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -68.86 -67.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.442 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 3.3 pt20 -52.85 -24.6 9.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 51' ' ' LYS . . . -92.81 176.57 6.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -177.93 -68.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -85.6 -49.59 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.588 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -42.87 -62.17 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.97 99.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 168.83 118.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.02 43.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.898 ' CZ ' HG23 ' A' ' 12' ' ' THR . 78.1 m-85 -120.94 150.17 41.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' GLU . 8.8 t -83.41 159.38 21.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' THR . 3.0 mt-10 -38.57 -58.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -46.21 -54.3 9.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -50.91 -68.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -48.11 -29.22 3.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -62.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.605 HG22 HD11 ' A' ' 108' ' ' ILE . 1.7 m -58.62 -50.58 73.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.619 HG23 HD22 ' A' ' 49' ' ' LEU . 37.5 mt -44.35 -49.23 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.78 -29.92 74.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' THR . 43.2 mttt -72.26 -35.95 68.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.908 HD13 ' HG ' ' A' ' 105' ' ' LEU . 79.4 mt -59.33 -43.91 91.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.495 ' HB3' HD13 ' A' ' 122' ' ' ILE . . . -55.93 -54.86 39.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.556 ' OG1' HD12 ' A' ' 122' ' ' ILE . 1.3 m -37.64 -61.31 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.61 ' SG ' HG21 ' A' ' 119' ' ' VAL . 57.7 m -44.62 -59.33 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 46' ' ' ALA . 5.6 mt -35.48 -62.74 0.38 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 77' ' ' LEU . 1.4 mm-40 -37.67 -49.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.533 ' N ' HD13 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -58.28 -58.26 9.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.465 ' NE ' HD21 ' A' ' 84' ' ' LEU . 15.9 tpt180 -50.39 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.352 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.728 ' HB3' HG23 ' A' ' 39' ' ' ILE . 20.7 m -39.91 -38.76 0.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.2 -45.31 27.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' ' HG3' ' A' ' 92' ' ' GLU . . . -43.34 -45.66 6.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.765 HD12 HG13 ' A' ' 39' ' ' ILE . 14.2 mt -60.03 -54.33 47.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -57.99 -51.88 67.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -46.65 149.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.7 t -131.21 -46.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -91.27 -48.09 7.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.11 139.94 5.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -144.77 88.45 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 168.64 42.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.464 ' HG3' ' CB ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER -121.85 -167.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.2 OUTLIER -71.33 156.8 39.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 -167.65 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.699 HD23 HD23 ' A' ' 98' ' ' LEU . 1.3 mt -82.61 -43.23 17.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.44 -49.86 75.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 117' ' ' PHE . 84.5 m-20 -61.17 -30.49 70.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.746 ' HG ' HD11 ' A' ' 23' ' ' LEU . 3.0 tp -74.64 -58.62 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -20.63 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.52 -9.22 47.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 39.9 mt -98.16 -9.07 26.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.533 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -62.59 -50.2 79.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.5 Cg_endo -74.94 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 108' ' ' ILE . 12.4 mt -41.82 -61.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.908 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.9 mt -42.97 -38.15 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 103' ' ' PRO . 1.1 mtmt -77.75 -40.3 41.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 104' ' ' ILE . 57.8 m-80 -89.59 23.35 2.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.605 HD11 HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -59.89 -39.16 79.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.61 -52.38 57.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.7 t -88.31 44.79 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.587 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 33.6 t80 -103.59 116.39 32.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 40.0 p30 -92.07 35.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.587 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 6.1 mttt 53.07 -174.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 3.3 tt0 82.03 80.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.566 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.3 OUTLIER -68.84 140.67 91.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.566 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.5 Cg_endo -74.93 -0.44 9.94 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.044 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 97' ' ' ASP . 77.3 m-85 -138.67 146.68 41.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -76.58 93.83 3.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.61 HG21 ' SG ' ' A' ' 76' ' ' CYS . 33.7 m -146.53 114.39 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -71.88 161.27 79.65 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 149.61 37.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.45 1.763 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.556 HD12 ' OG1' ' A' ' 75' ' ' THR . 0.9 OUTLIER -60.3 139.39 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.1 m 63.2 133.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -71.08 -154.28 1.45 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 171.32 18.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.2 t -131.91 105.03 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.12 83.57 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.015 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.57 -58.57 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.17 -59.15 0.99 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.7 170.6 29.13 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.5 p -154.81 125.71 7.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 110.029 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.19 155.71 23.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.09 -123.86 34.31 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.949 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.64 -178.96 5.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 0.748 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 p -107.07 135.93 47.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.938 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -45.58 -45.07 13.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.4 m -54.72 -42.19 60.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.475 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 7.6 m -68.38 -48.76 63.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -40.24 71.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -70.11 -27.36 64.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.49 HD13 ' CH2' ' A' ' 19' ' ' TRP . 0.4 OUTLIER -63.32 -47.6 81.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 105' ' ' LEU . 95.2 mt -64.84 -39.86 94.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -49.93 -31.55 12.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -81.02 -49.71 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.562 ' HB3' HD13 ' A' ' 105' ' ' LEU . 32.9 m0 -65.74 -13.03 58.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' LEU . . . -98.23 -32.19 6.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.87 -14.0 56.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.733 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.72 -55.62 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.009 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.73 HD11 ' HG ' ' A' ' 98' ' ' LEU . 56.3 tp -52.45 -59.24 4.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -41.24 -56.19 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' ASP . 6.2 ttt180 -55.59 -53.88 51.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.31 -44.44 2.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.68 73.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.559 ' CG ' ' CZ2' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -41.13 -50.47 3.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 37' ' ' GLU . 94.2 m-85 -60.22 -53.71 54.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.436 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -46.43 -64.47 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.72 -62.63 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.559 ' CZ2' ' CG ' ' A' ' 28' ' ' ASP . 15.5 m0 -55.51 -75.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.013 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 154.01 43.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -113.64 59.97 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.308 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 9.3 mt -47.47 -56.51 6.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.733 HG13 ' H ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -40.96 -72.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.733 ' H ' HG13 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -48.49 -40.86 28.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.168 . . . . 0.0 110.313 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -56.58 -59.46 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.673 HG23 ' HB3' ' A' ' 81' ' ' SER . 7.7 mt -46.14 -68.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' ILE . 0.7 OUTLIER -39.58 -57.23 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.531 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 10.9 tm-20 -45.34 -63.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.531 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 15.7 m-85 -51.59 -55.85 16.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -50.12 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.3 mp -40.25 -49.76 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 tp -64.08 -47.13 81.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -51.7 -47.0 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -49.16 78.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 110.265 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -52.99 -46.1 68.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.58 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.653 HD13 ' HB ' ' A' ' 73' ' ' ILE . 24.0 mt -52.64 -47.35 67.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.51 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 33.4 mt-30 -59.91 -49.23 78.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.29 -28.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 15.5 mm-40 -95.87 -36.01 11.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -69.0 -62.46 1.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLN . 8.1 pt20 -94.35 43.26 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.84 166.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.47 -55.96 1.7 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 54.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.628 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 42.61 59.9 2.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -137.77 99.64 3.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 p -148.41 172.56 14.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.3 -36.7 63.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.475 ' CZ ' HG23 ' A' ' 12' ' ' THR . 88.3 m-85 -84.58 176.71 8.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.468 HG22 ' OE1' ' A' ' 66' ' ' GLN . 10.2 t -109.34 162.73 14.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -42.55 -42.86 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.254 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.429 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 4.8 mm-40 -55.8 -58.72 6.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.468 ' OE1' HG22 ' A' ' 63' ' ' THR . 1.1 mp0 -61.13 -50.95 71.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 70' ' ' ILE . 3.1 mtpm? -56.61 -35.61 68.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -56.83 -42.56 79.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.86 -43.23 62.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.559 ' HA ' HD12 ' A' ' 73' ' ' ILE . 40.2 mt -42.4 -44.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 74' ' ' ALA . . . -63.62 -57.77 13.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.717 ' HG2' HG23 ' A' ' 119' ' ' VAL . 24.1 mttt -42.69 -40.63 2.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.9 HD13 ' HG ' ' A' ' 105' ' ' LEU . 69.5 mt -57.99 -50.0 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.46 ' HB3' HD13 ' A' ' 122' ' ' ILE . . . -56.03 -54.92 39.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' ALA . 1.2 m -37.31 -61.9 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.596 ' SG ' ' CZ ' ' A' ' 93' ' ' PHE . 74.1 m -44.53 -57.15 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 108.261 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.604 HD12 ' HB2' ' A' ' 46' ' ' ALA . 7.4 mt -38.73 -60.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -41.23 -48.58 3.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.347 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.666 ' N ' HD13 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.0 -52.42 65.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -57.98 -62.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.673 ' HB3' HG23 ' A' ' 39' ' ' ILE . 52.3 m -44.65 -47.45 10.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.45 -51.26 61.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -42.04 -50.34 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.7 mt -54.3 -51.78 63.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -56.06 -52.55 63.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.63 143.01 58.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.52 -64.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.15 -156.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.19 64.37 1.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.008 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.408 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 0.5 OUTLIER -158.25 -55.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.408 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 8.0 tt0 80.28 63.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.18 -145.66 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.618 ' CZ ' ' CG ' ' A' ' 97' ' ' ASP . 1.4 t80 -76.86 158.88 30.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.048 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.89 -168.45 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.839 HD23 HD23 ' A' ' 98' ' ' LEU . 1.0 OUTLIER -92.76 -41.59 10.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -41.78 80.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.23 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.628 ' OD1' ' CE2' ' A' ' 117' ' ' PHE . 59.7 t0 -69.22 -33.53 73.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.839 HD23 HD23 ' A' ' 95' ' ' LEU . 3.4 tp -69.15 -58.14 4.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -21.75 8.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.02 -8.69 51.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.633 HD23 HD12 ' A' ' 104' ' ' ILE . 44.3 mt -98.31 -5.13 33.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.669 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -63.65 -48.71 79.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.0 -46.37 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.738 HG23 ' CD2' ' A' ' 111' ' ' TYR . 90.7 mt -46.51 -38.83 3.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.9 ' HG ' HD13 ' A' ' 73' ' ' ILE . 3.9 mt -75.15 -34.28 61.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' PRO . 47.0 mtpt -67.85 -59.05 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 111' ' ' TYR . 83.2 m-20 -88.31 38.53 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.43 HG21 ' CE1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -57.54 -47.1 85.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.419 HD21 HG21 ' A' ' 12' ' ' THR . 1.7 mt -59.16 -47.03 86.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.5 t -109.34 51.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.433 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.738 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.2 OUTLIER -104.14 132.49 50.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -72.2 119.08 15.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -56.65 -170.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 115' ' ' PHE . 1.2 mm-40 63.93 68.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 116' ' ' PRO . 0.3 OUTLIER -36.59 144.42 0.27 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 115' ' ' PHE . 18.4 Cg_endo -74.97 -26.05 11.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.628 ' CE2' ' OD1' ' A' ' 97' ' ' ASP . 92.3 m-85 -106.75 151.85 24.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -86.83 88.76 7.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.717 HG23 ' HG2' ' A' ' 72' ' ' LYS . 15.5 m -135.55 122.45 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.47 128.29 91.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 158.5 42.31 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.46 HD13 ' HB3' ' A' ' 74' ' ' ALA . 1.1 mp -79.58 130.66 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.79 137.27 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -108.25 -138.71 8.62 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.552 1.158 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 139.14 24.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.526 1.803 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.33 -61.33 1.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.72 85.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.037 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -128.39 93.06 3.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.777 . . . . 0.0 110.01 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -148.8 -59.65 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.995 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.83 -148.88 6.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.441 1.088 . . . . 0.0 111.053 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -138.44 -58.3 0.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.996 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -127.97 112.17 14.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.13 169.7 35.92 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.411 ' SD ' HD11 ' A' ' 109' ' ' LEU . 5.1 mmt -109.51 -169.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 11' ' ' VAL . 2.3 m -174.44 53.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 66.27 -69.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 12' ' ' THR . 9.8 p -62.79 -50.56 79.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.479 ' N ' HG13 ' A' ' 11' ' ' VAL . 66.2 m -43.31 -63.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.413 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -54.78 -31.4 58.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -25.5 60.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 15' ' ' LEU . 6.9 mt -72.84 -68.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.451 HD22 ' O ' ' A' ' 105' ' ' LEU . 20.9 mt -40.56 -29.02 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 15' ' ' LEU . 1.8 tt0 -80.62 -65.08 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' C ' ' CD ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -50.15 -33.31 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.265 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.922 ' HB3' HD13 ' A' ' 105' ' ' LEU . 4.4 m0 -68.11 -66.6 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 108.007 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.03 -30.11 2.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.82 84.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 19' ' ' TRP . 3.9 m -51.4 -63.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.957 HD23 ' HB2' ' A' ' 102' ' ' GLU . 40.7 tp -48.84 -57.28 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -40.86 -50.99 3.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -46.67 75.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.71 -24.96 34.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.34 -42.67 12.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 0.743 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . 7.2 m-20 -54.97 -46.32 75.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 9.7 m-85 -60.52 -54.7 42.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.598 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -50.11 -61.11 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -39.13 -67.88 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.442 ' CZ2' ' HB3' ' A' ' 28' ' ' ASP . 9.9 m0 -47.33 -72.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 107.973 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.18 42.78 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.103 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 12.9 mm100 -118.15 72.97 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.766 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.47 -51.35 60.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.1 t -51.21 -60.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.57 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.2 mt-10 -56.74 -41.33 77.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -55.05 -58.97 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.775 HG23 ' HB3' ' A' ' 81' ' ' SER . 12.3 mt -43.82 -59.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.465 ' O ' HD13 ' A' ' 44' ' ' ILE . 1.3 t70 -40.52 -51.32 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -52.27 -67.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.553 ' HE2' HD11 ' A' ' 84' ' ' LEU . 22.9 m-85 -45.86 -61.81 1.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.444 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 40.0 mt-30 -44.34 -62.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.581 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 1.1 mp -45.35 -50.08 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.517 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 48.2 tp -61.8 -38.47 88.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -60.55 -49.2 78.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -48.93 79.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 12.3 m170 -53.22 -55.15 26.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.596 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.563 HD13 ' HB ' ' A' ' 73' ' ' ILE . 70.7 mt -41.77 -38.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.557 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 12.0 mt-30 -62.67 -55.25 28.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -41.69 -28.79 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.542 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 66.3 mm-40 -96.64 -35.08 11.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.557 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -66.16 -40.25 90.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.547 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 1.3 pt20 -110.75 -63.4 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.724 ' HB1' ' OD1' ' A' ' 58' ' ' ASN . . . 74.58 -61.47 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.4 OUTLIER 80.51 -62.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.21 80.29 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.587 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.724 ' OD1' ' HB1' ' A' ' 55' ' ' ALA . 15.6 p-10 -159.02 -46.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -171.0 177.58 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.9 t 170.39 69.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -91.97 23.3 3.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.419 ' HB3' ' CB ' ' A' ' 66' ' ' GLN . 88.9 m-85 -129.28 170.28 13.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' GLU . 9.0 t -101.06 163.09 12.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -38.88 -58.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -45.41 -61.11 1.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.495 ' HG2' HG23 ' A' ' 108' ' ' ILE . 3.7 mt-30 -43.61 -49.73 7.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -59.45 -48.22 82.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -47.19 -60.55 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.578 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.1 m -60.19 -56.02 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.491 HG23 HD22 ' A' ' 49' ' ' LEU . 35.1 mt -40.59 -50.71 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.518 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -67.65 -48.25 57.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HB3' HG23 ' A' ' 119' ' ' VAL . 60.9 mttt -49.92 -42.6 48.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 0.767 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.734 HD13 ' HG ' ' A' ' 105' ' ' LEU . 92.7 mt -52.99 -51.16 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB3' ' CD1' ' A' ' 122' ' ' ILE . . . -54.56 -53.13 58.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 m -43.04 -45.57 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.754 ' SG ' HG11 ' A' ' 119' ' ' VAL . 61.2 m -61.98 -48.68 79.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 108.302 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.521 HD12 ' CA ' ' A' ' 46' ' ' ALA . 18.5 mt -45.22 -57.61 3.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -43.8 -26.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 77' ' ' LEU . 24.5 mt -79.19 -52.95 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.712 ' NE ' HD21 ' A' ' 84' ' ' LEU . 25.3 tpt180 -56.2 -65.31 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.775 ' HB3' HG23 ' A' ' 39' ' ' ILE . 61.6 m -39.37 -51.59 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.67 -43.2 94.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -49.91 -35.71 24.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.721 HD12 HG13 ' A' ' 39' ' ' ILE . 14.1 mt -69.79 -52.12 27.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -51.1 -44.04 61.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.148 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.4 OUTLIER -53.23 156.74 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 89' ' ' SER . 20.5 m -60.71 84.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 86' ' ' SER . 1.0 OUTLIER 68.62 -69.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 87' ' ' THR . 0.1 OUTLIER -172.11 160.53 5.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.975 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.08 -52.88 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 169.57 60.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.434 ' HG3' ' HB2' ' A' ' 83' ' ' ALA . 0.8 OUTLIER -138.33 -172.69 3.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 0.2 OUTLIER -50.18 142.38 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.097 . . . . 0.0 110.97 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.94 -169.42 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.916 HD23 HD23 ' A' ' 98' ' ' LEU . 0.6 OUTLIER -79.51 -51.75 8.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.36 -40.43 68.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 69.9 m-20 -66.41 -30.12 70.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.916 HD23 HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -79.24 -43.09 24.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.638 ' CD ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -59.13 -15.38 14.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -74.42 -2.74 26.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.563 HD13 HG23 ' A' ' 73' ' ' ILE . 29.4 mt -100.69 -1.84 34.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.957 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -77.78 -46.31 2.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.308 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.02 -29.39 8.25 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.1 mt -64.66 -54.0 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.922 HD13 ' HB3' ' A' ' 19' ' ' TRP . 9.5 mt -56.48 -35.66 68.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.05 -43.04 55.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 103' ' ' PRO . 89.0 m-20 -91.11 25.41 2.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.495 HG23 ' HG2' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -58.04 -50.16 79.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.411 HD11 ' SD ' ' A' ' 8' ' ' MET . 16.9 mt -58.44 -49.97 75.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.0 t -89.05 35.61 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.422 1.076 . . . . 0.0 110.378 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 72.4 t80 -93.07 120.18 33.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -107.18 47.63 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.582 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 0.6 OUTLIER 49.89 -171.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 2.9 tt0 83.07 87.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.434 ' HZ ' HD22 ' A' ' 101' ' ' LEU . 0.8 OUTLIER -91.56 144.06 29.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.424 1.077 . . . . 0.0 110.956 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -1.49 11.31 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 97' ' ' ASP . 82.3 m-85 -136.4 146.21 46.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.61 80.15 8.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.115 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.754 HG11 ' SG ' ' A' ' 76' ' ' CYS . 7.9 m -121.97 136.83 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -84.52 153.08 61.46 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 138.46 23.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 71' ' ' GLY . 1.8 mt -74.8 125.68 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.43 90.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 154.88 -174.05 33.17 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 146.61 32.9 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 84.8 p -43.91 111.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.19 120.19 21.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -126.57 146.7 50.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 110.034 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 t 59.06 168.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.49 66.58 0.52 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 m -45.19 116.11 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.405 ' HA ' ' OE1' ' A' ' 61' ' ' GLU . 49.6 m 59.22 114.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.8 -144.08 4.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.44 ' HG2' ' N ' ' A' ' 9' ' ' SER . 5.7 ttm -59.05 140.28 55.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 0.763 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 11' ' ' VAL . 1.4 m -160.4 54.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 9' ' ' SER . 12.7 tt0 67.64 -61.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 12' ' ' THR . 14.6 p -62.01 -54.51 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 1.095 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 6.9 m -53.75 -28.65 35.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -67.04 -68.88 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' A' ' 18' ' ' ARG . 1.3 m -38.43 -41.89 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.59 HD13 ' CH2' ' A' ' 19' ' ' TRP . 2.0 mt -48.25 -58.32 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.435 ' N ' HD23 ' A' ' 16' ' ' LEU . 6.9 mt -44.12 -26.24 0.28 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.448 ' N ' ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -83.1 -74.21 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.586 ' HG3' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -42.2 -45.92 4.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.339 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.601 ' CE3' HD22 ' A' ' 105' ' ' LEU . 5.5 m0 -55.49 -63.02 1.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 108.003 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.0 -27.12 59.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 17' ' ' GLN . . . -71.53 -37.07 71.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 m -57.43 -65.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.941 HD23 ' HB2' ' A' ' 102' ' ' GLU . 15.6 tp -44.42 -57.0 3.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.15 -65.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -50.37 -36.66 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.33 96.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.6 97.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 0.797 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.12 -43.56 7.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 33' ' ' GLY . 25.4 m-85 -64.8 -63.24 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.798 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -39.87 -61.82 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.254 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.56 -59.53 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 21.9 m0 -59.89 -75.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 108.035 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . 156.6 43.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' A' ' 37' ' ' GLU . 6.5 mm100 -112.53 67.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 35' ' ' LEU . 2.2 mt -54.36 -51.44 64.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.2 t -44.59 -69.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.444 ' OE1' ' NE2' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -51.14 -44.84 61.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -49.88 -57.72 6.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.568 HG13 HD12 ' A' ' 84' ' ' LEU . 9.3 mt -50.58 -61.85 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -41.8 -59.51 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 13.4 tm-20 -47.11 -68.82 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.598 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 18.9 m-85 -42.71 -58.44 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.572 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 63.3 mt-30 -48.49 -59.12 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.434 HG23 ' NE2' ' A' ' 48' ' ' HIS . 1.2 mp -45.42 -56.53 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 63.0 tp -56.31 -35.99 68.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.581 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -61.99 -49.26 76.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -49.19 78.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' NE2' HG23 ' A' ' 44' ' ' ILE . 12.5 m170 -52.09 -39.22 59.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.576 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.664 ' CD2' HG23 ' A' ' 70' ' ' ILE . 53.9 mt -60.13 -58.23 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.572 ' CD ' HG21 ' A' ' 122' ' ' ILE . 41.3 mt-30 -47.85 -48.87 30.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -28.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.6 ' OE1' ' CD1' ' A' ' 62' ' ' PHE . 3.6 mt-10 -95.95 -38.39 10.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -64.3 -45.1 89.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -91.8 49.42 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -137.85 87.11 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -45.44 -64.18 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -173.04 109.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.614 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -170.32 -63.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -106.34 -53.43 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -50.94 138.91 18.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' ' 6' ' ' SER . 1.4 mm-40 -122.05 36.03 4.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 1.095 ' CZ ' HG23 ' A' ' 12' ' ' THR . 67.3 m-85 -114.94 174.46 5.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.478 HG22 ' CD ' ' A' ' 66' ' ' GLN . 8.9 t -109.1 159.66 16.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.361 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' GLU . 3.1 mm-40 -41.59 -60.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' GLU . 26.7 mt-10 -38.89 -39.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.478 ' CD ' HG22 ' A' ' 63' ' ' THR . 52.9 mt-30 -82.17 -60.34 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -45.15 -50.45 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' CE ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -49.73 -37.93 31.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.599 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 1.7 m -77.64 -52.98 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.664 HG23 ' CD2' ' A' ' 49' ' ' LEU . 96.8 mt -39.23 -43.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 72' ' ' LYS . . . -65.96 -63.96 3.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.551 1.157 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' GLY . 16.2 mttm -39.81 -46.37 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.754 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.658 HD13 ' HG ' ' A' ' 105' ' ' LEU . 32.8 mt -49.12 -53.62 7.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.492 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -57.05 -52.04 66.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.488 ' OG1' ' CD1' ' A' ' 122' ' ' ILE . 2.1 m -44.09 -42.25 6.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.444 ' HB2' HD11 ' A' ' 101' ' ' LEU . 32.8 m -63.23 -49.44 74.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 108.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.581 HD12 ' CA ' ' A' ' 46' ' ' ALA . 17.3 mt -44.25 -59.78 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -41.19 -33.27 0.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.93 -52.75 15.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 15.1 tpt180 -54.63 -64.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.447 ' HB3' HG23 ' A' ' 39' ' ' ILE . 66.1 m -46.01 -57.03 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.966 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 83' ' ' ALA . . . -53.52 -52.21 60.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -40.57 -40.4 1.24 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.241 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.568 HD12 HG13 ' A' ' 39' ' ' ILE . 8.2 mt -66.09 -54.11 29.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -58.8 -47.72 83.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.98 154.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.948 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 m -139.54 -65.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -39.24 -52.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.3 m -87.99 168.63 12.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.008 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -167.28 51.66 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -145.88 27.48 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -84.97 -146.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.86 145.61 40.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.411 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -105.94 -169.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.798 HD11 ' HB3' ' A' ' 30' ' ' ASP . 3.4 mt -76.23 -57.04 4.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -48.62 -56.04 9.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -54.95 -19.37 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.771 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -92.2 -41.19 10.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.706 ' HA ' HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -64.37 -10.59 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -78.7 1.46 22.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.61 HD13 HG23 ' A' ' 73' ' ' ILE . 79.4 mt -102.02 -9.77 20.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.941 ' HB2' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -71.73 -45.47 12.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.0 -36.62 2.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.528 HD12 HD23 ' A' ' 101' ' ' LEU . 69.5 mt -60.63 -45.06 98.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.658 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.1 mt -64.98 -33.03 75.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -41.77 46.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 111' ' ' TYR . 70.6 m-80 -89.62 21.92 3.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -55.0 -39.91 51.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.73 -43.49 75.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.2 t -107.9 45.12 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.599 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 49.9 t80 -92.78 -36.65 12.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.526 ' O ' ' CG ' ' A' ' 113' ' ' LYS . 0.5 OUTLIER 63.21 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 112' ' ' ASN . 10.7 mttt -175.95 -172.86 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.404 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER 78.81 97.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.522 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 0.7 OUTLIER -92.01 148.01 36.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.965 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.53 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.3 Cg_endo -74.94 -3.41 13.88 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.53 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 32.6 m-85 -140.64 169.77 17.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -114.7 91.53 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.2 m -134.77 130.1 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.347 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.47 144.7 95.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.256 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 150.06 37.79 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.572 HG21 ' CD ' ' A' ' 50' ' ' GLN . 2.8 mt -84.87 132.16 32.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 31.5 t 66.85 140.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 126.1 -151.82 17.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 72.96 4.46 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.454 1.765 . . . . 0.0 111.01 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.9 t -141.88 149.2 39.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.9 t -142.44 120.78 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.936 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p 40.83 84.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -108.66 111.64 23.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 110.021 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.71 -110.72 0.71 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.08 146.33 49.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -160.51 126.66 4.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.045 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.81 142.12 47.39 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.479 ' HB2' HD11 ' A' ' 109' ' ' LEU . 0.1 OUTLIER 60.47 113.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.743 . . . . 0.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -152.16 74.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 9' ' ' SER . 20.4 tt0 66.41 -66.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' SER . 47.9 t -59.06 -76.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' LEU . 11.2 m -38.9 -44.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.91 -51.1 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.47 -23.57 63.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 19' ' ' TRP . 1.5 tm? -66.66 -59.03 3.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.481 HD22 ' O ' ' A' ' 105' ' ' LEU . 56.8 mt -46.49 -25.2 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' N ' ' C ' ' A' ' 15' ' ' LEU . 5.8 mm-40 -78.81 -70.78 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -43.6 -28.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.503 ' CZ3' HG12 ' A' ' 70' ' ' ILE . 1.4 m0 -68.92 -67.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 107.992 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.86 -36.86 42.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.32 -49.99 68.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.5 m -50.6 -63.8 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.807 HD11 ' HG ' ' A' ' 98' ' ' LEU . 38.2 tp -48.68 -56.14 9.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -50.78 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.405 ' HA ' ' OD2' ' A' ' 28' ' ' ASP . 0.0 OUTLIER -65.2 -48.37 73.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.339 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -46.87 -27.08 3.14 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.64 -39.45 20.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 0.789 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.405 ' OD2' ' HA ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -58.5 -36.86 74.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.589 ' CE1' ' CD ' ' A' ' 37' ' ' GLU . 59.6 m-85 -70.21 -54.66 11.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -50.3 -57.97 6.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.1 t -44.04 -72.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -42.94 -75.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 107.995 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.49 39.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.471 ' HB2' ' HB3' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -114.66 103.85 11.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 110.278 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.669 HD23 ' N ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -89.88 -50.33 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.579 HG23 ' N ' ' A' ' 37' ' ' GLU . 26.8 m -48.22 -56.22 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.589 ' CD ' ' CE1' ' A' ' 29' ' ' PHE . 6.5 mt-10 -61.28 -43.72 98.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.608 ' O ' ' CD2' ' A' ' 42' ' ' TYR . . . -54.28 -51.1 65.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.825 HG13 HD12 ' A' ' 84' ' ' LEU . 7.4 mt -66.31 -42.47 90.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -55.73 -56.7 17.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -53.42 -69.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.713 ' CE1' HD21 ' A' ' 98' ' ' LEU . 21.4 m-85 -39.97 -61.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.52 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 55.2 mt-30 -46.14 -65.69 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.2 mp -42.14 -57.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.4 tp -54.5 -39.47 67.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -61.11 -46.82 89.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -61.93 -33.48 74.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.46 ' CD2' ' O ' ' A' ' 44' ' ' ILE . 15.1 m170 -69.93 -49.42 52.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.651 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.505 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 38.3 mt -41.81 -43.77 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.719 ' CD ' HG21 ' A' ' 122' ' ' ILE . 38.6 mt-30 -65.21 -48.51 73.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.95 -28.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.494 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 14.7 mm-40 -95.85 -33.31 12.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.51 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -74.51 -65.25 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLN . 5.6 pt20 -65.32 -32.94 74.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 52.19 63.1 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -44.18 -64.86 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -134.98 58.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.584 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.2 96.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.94 92.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 t -42.98 165.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.989 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.74 36.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.403 ' HA ' ' OE1' ' A' ' 66' ' ' GLN . 9.3 m-85 -111.78 136.49 50.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.492 HG23 ' CG ' ' A' ' 65' ' ' GLU . 13.4 t -72.31 163.59 27.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.393 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.73 -55.48 5.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.521 ' CB ' ' HE3' ' A' ' 113' ' ' LYS . 2.1 pt-20 -57.61 -25.91 60.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' ' 65' ' ' GLU . 60.7 mt-30 -81.96 -66.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 63' ' ' THR . 11.7 ptmt -48.03 -27.05 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -60.44 -68.85 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.551 HG22 HD11 ' A' ' 73' ' ' ILE . 18.5 m -42.28 -56.47 2.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' A' ' 73' ' ' ILE . 13.7 mt -40.84 -50.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.543 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -63.76 -37.99 95.52 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.54 ' HB3' HG23 ' A' ' 119' ' ' VAL . 56.2 mttt -68.76 -42.79 77.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.764 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.974 HD13 ' HG ' ' A' ' 105' ' ' LEU . 70.4 mt -51.76 -54.86 11.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -47.03 -60.23 2.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' ALA . 2.0 m -37.6 -54.0 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.851 ' SG ' HG11 ' A' ' 119' ' ' VAL . 58.0 m -51.48 -51.47 54.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.258 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.447 HD12 ' CA ' ' A' ' 46' ' ' ALA . 14.4 mt -46.16 -59.12 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -41.64 -31.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' A' ' 93' ' ' PHE . 12.3 mt -73.24 -48.81 31.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.561 ' NH2' HD13 ' A' ' 95' ' ' LEU . 27.4 tpt180 -61.68 -65.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.74 ' HB3' HG23 ' A' ' 39' ' ' ILE . 72.4 m -38.64 -56.29 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.413 1.071 . . . . 0.0 109.99 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.2 -53.67 55.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.44 ' O ' ' NE2' ' A' ' 90' ' ' GLN . . . -41.73 -38.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.825 HD12 HG13 ' A' ' 39' ' ' ILE . 13.2 mt -66.87 -53.85 28.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -54.22 -57.42 11.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.57 166.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.4 m -139.6 -82.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.73 126.13 11.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.5 m 39.3 86.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.018 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -127.05 132.9 50.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 177.46 67.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.81 -10.38 16.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 76' ' ' CYS . 1.1 t80 176.95 99.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.488 ' CD ' ' HG2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -56.03 -170.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.561 HD13 ' NH2' ' A' ' 80' ' ' ARG . 35.4 tp -82.28 -57.76 3.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.488 ' HG2' ' CD ' ' A' ' 94' ' ' LYS . 6.5 pt-20 -46.26 -42.7 14.8 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -59.32 -32.41 70.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.807 ' HG ' HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -75.86 -46.57 29.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -11.56 55.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.46 ' HE2' ' CZ ' ' A' ' 117' ' ' PHE . 24.1 mtpt -72.32 -7.52 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.592 HD13 HG23 ' A' ' 73' ' ' ILE . 33.6 mt -100.83 -13.14 18.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.538 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -54.31 -49.22 91.73 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.5 Cg_endo -75.01 -49.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.799 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.742 HG23 ' CD1' ' A' ' 111' ' ' TYR . 53.5 mt -43.39 -52.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.974 ' HG ' HD13 ' A' ' 73' ' ' ILE . 7.1 mt -60.12 -36.33 77.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -69.57 -51.78 32.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.485 ' OD1' ' CG2' ' A' ' 110' ' ' THR . 9.4 m-80 -87.68 34.64 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.433 HG13 HD23 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.69 -20.96 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 8' ' ' MET . 14.7 mt -88.41 -30.0 19.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.485 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 7.3 t -117.78 39.82 3.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.425 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.742 ' CD1' HG23 ' A' ' 104' ' ' ILE . 24.5 t80 -100.44 -20.1 15.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.498 ' O ' ' CG ' ' A' ' 113' ' ' LYS . 11.1 m-80 58.62 -91.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.521 ' HE3' ' CB ' ' A' ' 65' ' ' GLU . 12.1 mttt -175.98 -168.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 3.0 tt0 81.96 66.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.571 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 1.3 t80 -62.02 140.58 95.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.0 -47.21 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.46 ' CZ ' ' HE2' ' A' ' 100' ' ' LYS . 53.7 m-85 -86.08 140.63 30.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.44 79.97 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.851 HG11 ' SG ' ' A' ' 76' ' ' CYS . 5.2 m -130.15 121.03 50.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.14 158.02 82.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 137.69 22.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.719 HG21 ' CD ' ' A' ' 50' ' ' GLN . 3.1 mt -83.42 128.12 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.4 120.46 24.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.045 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -79.12 -158.75 13.77 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 106.75 2.34 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.0 m -86.55 132.57 33.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.1 m -61.16 133.6 56.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.123 . . . . 0.0 111.008 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.58 138.74 39.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.004 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.82 -56.76 0.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.4 74.92 1.29 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.48 136.53 54.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 m -136.02 161.09 36.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.071 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.93 -73.38 0.26 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 60.66 129.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.4 m -151.0 -88.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.59 -18.2 11.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' A' ' 12' ' ' THR . 3.4 m -79.97 -50.04 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.691 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 54.7 m -77.54 -42.87 33.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -51.87 -55.65 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.74 -37.89 53.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.878 HD13 ' CH2' ' A' ' 19' ' ' TRP . 0.6 OUTLIER -52.23 -46.09 65.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.6 mt -53.19 -20.86 4.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -88.45 -72.78 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.804 ' HG3' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.93 -44.71 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.878 ' CH2' HD13 ' A' ' 15' ' ' LEU . 6.5 m0 -55.7 -64.6 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.002 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.16 -35.69 60.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.65 -40.78 88.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -56.92 15.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.911 HD11 ' HG ' ' A' ' 98' ' ' LEU . 59.1 tp -52.38 -58.18 7.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -54.2 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -60.76 -55.11 37.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' HA3' ' CE1' ' A' ' 42' ' ' TYR . . . -42.93 -32.42 1.44 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.62 -50.31 12.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.6 -37.01 3.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 21.1 m-85 -72.73 -51.41 19.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.74 -56.96 10.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.43 -68.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -49.6 -69.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 107.971 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.97 46.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -115.23 68.98 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.767 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 39' ' ' ILE . 3.9 mt -57.74 -58.3 8.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.791 HG13 ' H ' ' A' ' 37' ' ' GLU . 2.3 p -43.46 -68.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.791 ' H ' HG13 ' A' ' 36' ' ' VAL . 1.8 mt-10 -51.98 -44.05 63.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.96 -63.18 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 35' ' ' LEU . 4.0 mt -40.78 -59.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.484 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.8 OUTLIER -41.06 -58.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -50.25 -68.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.475 ' O ' HD13 ' A' ' 77' ' ' LEU . 21.3 m-85 -43.28 -60.54 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.564 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 77.8 mt-30 -49.4 -62.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.2 mp -42.41 -54.6 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -54.04 -39.84 66.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -58.09 -49.32 77.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -47.04 82.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -54.89 -51.45 65.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.143 . . . . 0.0 109.625 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.564 HD13 ' HB ' ' A' ' 73' ' ' ILE . 90.9 mt -43.53 -46.26 6.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.625 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 30.5 mt-30 -58.98 -47.61 84.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -40.58 -31.74 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 17.9 mm-40 -96.0 -35.99 11.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.625 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -68.4 -62.26 1.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLN . 4.8 pt20 -69.25 -34.51 74.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.264 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' GLN . . . 39.53 60.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -70.99 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -75.59 -53.32 8.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.594 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -86.3 166.15 15.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -119.43 94.53 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.1 t -41.66 134.08 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.999 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -91.21 20.32 5.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.691 ' CZ ' HG23 ' A' ' 12' ' ' THR . 58.2 m-85 -102.1 172.38 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.3 t -92.74 159.87 15.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -38.94 -59.97 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -44.47 -62.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.42 ' CG ' HG23 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -45.55 -57.95 3.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.482 ' HA ' HD12 ' A' ' 70' ' ' ILE . 54.0 mtpt -46.72 -52.56 13.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -60.93 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.34 -49.84 68.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 67' ' ' LYS . 36.6 mt -42.51 -52.14 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.468 ' CA ' HG12 ' A' ' 122' ' ' ILE . . . -63.11 -57.33 16.01 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 71' ' ' GLY . 26.4 mttt -39.96 -53.14 2.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.72 HD13 ' HG ' ' A' ' 105' ' ' LEU . 99.6 mt -43.69 -49.66 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' LEU . . . -53.74 -58.3 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.8 m -41.14 -47.96 3.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.837 ' SG ' HG11 ' A' ' 119' ' ' VAL . 89.3 m -57.11 -46.15 82.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 108.32 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 42' ' ' TYR . 17.5 mt -51.7 -57.04 10.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -43.66 -29.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.258 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.4 mt -77.15 -57.47 3.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 15.6 tpt180 -47.6 -67.16 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.447 ' HB3' HG23 ' A' ' 39' ' ' ILE . 38.7 m -41.57 -63.83 0.65 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.152 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.85 -53.1 20.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -42.61 -40.49 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' A' ' 80' ' ' ARG . 25.5 mt -64.23 -54.27 36.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -56.03 -45.94 79.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.39 163.93 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -158.01 -65.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -39.32 -52.46 2.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.73 103.07 9.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.068 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' A' ' 90' ' ' GLN . 1.9 pt20 -105.61 108.2 19.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -168.45 37.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -109.46 -171.64 1.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -43.55 142.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.463 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.1 OUTLIER -105.95 -170.38 1.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 95' ' ' LEU . 6.9 tp -77.51 -57.02 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.463 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 10.7 pt-20 -49.27 -36.33 20.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.434 ' CG ' ' CE1' ' A' ' 117' ' ' PHE . 50.6 m-20 -71.39 -31.34 67.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.911 ' HG ' HD11 ' A' ' 23' ' ' LEU . 2.9 tp -76.16 -52.22 10.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -54.54 -20.34 7.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -9.51 48.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.512 HD23 HD12 ' A' ' 104' ' ' ILE . 19.3 mt -96.55 -4.61 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.531 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -69.93 -49.61 19.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.03 -29.13 8.5 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.512 HD12 HD23 ' A' ' 101' ' ' LEU . 79.6 mt -63.69 -47.81 89.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.72 ' HG ' HD13 ' A' ' 73' ' ' ILE . 4.1 mt -68.83 -31.75 70.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.17 -53.04 11.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.494 ' OD1' ' CG2' ' A' ' 110' ' ' THR . 54.8 m-80 -90.65 20.41 4.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.42 HG23 ' CG ' ' A' ' 66' ' ' GLN . 0.1 OUTLIER -39.58 -38.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.404 HD23 HE21 ' A' ' 66' ' ' GLN . 84.6 mt -73.96 -53.9 9.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.494 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 9.8 t -97.0 47.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.473 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.2 OUTLIER -110.45 136.16 50.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.73 128.58 33.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.417 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -60.3 -169.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 66.02 68.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.254 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.542 ' CD2' ' HD2' ' A' ' 116' ' ' PRO . 0.3 OUTLIER -38.22 147.65 0.25 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.542 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.4 Cg_endo -75.01 -14.99 20.95 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.434 ' CE1' ' CG ' ' A' ' 97' ' ' ASP . 77.0 m-85 -123.21 154.91 38.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.79 91.43 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.837 HG11 ' SG ' ' A' ' 76' ' ' CYS . 18.2 m -143.71 112.71 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.02 156.92 88.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 145.4 31.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.6 HG21 ' CD ' ' A' ' 50' ' ' GLN . 11.1 mm -54.25 -97.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.54 ' N ' HG22 ' A' ' 122' ' ' ILE . 6.2 t -38.62 150.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -99.68 -144.06 15.62 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.478 1.112 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 113.98 3.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.46 171.24 10.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.027 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.9 t -159.74 130.47 5.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.026 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.77 148.6 43.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.971 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.17 -61.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.56 -93.18 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.533 1.146 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -139.51 109.02 6.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 110.042 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -153.47 139.23 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.012 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.94 119.46 2.99 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 ttm 63.78 134.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.798 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -164.44 69.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.004 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 13' ' ' ARG . 16.2 tt0 64.44 -76.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 9' ' ' SER . 61.6 t -40.39 -51.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.81 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 1.8 m -69.12 -36.25 77.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.441 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -62.34 -31.22 71.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.2 -24.39 40.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.639 HD13 ' CH2' ' A' ' 19' ' ' TRP . 5.2 mt -68.64 -65.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 105' ' ' LEU . 59.7 mt -41.91 -28.14 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 15' ' ' LEU . 1.5 tt0 -87.17 -68.16 0.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -43.99 -33.85 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.172 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.639 ' CH2' HD13 ' A' ' 15' ' ' LEU . 7.6 m0 -68.02 -65.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 108.002 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.29 -25.38 18.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.566 1.166 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.12 -18.54 62.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.93 -56.25 3.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.814 HD11 ' HG ' ' A' ' 98' ' ' LEU . 28.1 tp -50.37 -59.36 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.62 -63.98 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -48.71 -30.96 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.49 -33.78 85.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.556 1.16 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.469 ' HB1' ' HZ3' ' A' ' 99' ' ' LYS . . . -70.38 -40.93 73.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.475 ' O ' ' CG ' ' A' ' 32' ' ' TRP . 3.2 m-20 -47.36 -40.81 18.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.599 ' CZ ' ' OE1' ' A' ' 37' ' ' GLU . 18.5 m-85 -72.98 -55.3 6.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -46.95 -47.45 21.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.43 -70.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.475 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 16.5 m0 -47.1 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 108.042 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.0 42.95 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.511 ' CB ' ' HB3' ' A' ' 29' ' ' PHE . 2.0 mt-30 -111.95 48.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.334 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.597 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 4.3 mt -42.13 -54.17 3.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.75 HG13 ' H ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -40.46 -72.75 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.75 ' H ' HG13 ' A' ' 36' ' ' VAL . 2.9 mt-10 -48.06 -43.15 30.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 35' ' ' LEU . . . -49.56 -56.81 8.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.831 HG13 HD12 ' A' ' 84' ' ' LEU . 55.3 mt -50.59 -54.63 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.64 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -49.46 -55.15 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.552 ' OE1' ' CD1' ' A' ' 42' ' ' TYR . 3.6 tm-20 -51.03 -69.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 110.317 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.552 ' CD1' ' OE1' ' A' ' 41' ' ' GLU . 22.1 m-85 -42.65 -65.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.613 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 73.3 mt-30 -42.97 -60.32 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.64 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.3 mp -43.43 -62.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.543 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 62.5 tp -51.19 -38.48 52.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -59.83 -55.06 38.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -27.17 67.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' HG23 ' A' ' 44' ' ' ILE . 1.3 m80 -75.17 -37.52 61.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.583 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.566 HD21 HD21 ' A' ' 105' ' ' LEU . 19.4 mt -57.6 -51.15 70.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.617 ' CD ' HG21 ' A' ' 122' ' ' ILE . 43.1 mt-30 -53.05 -43.53 66.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -38.2 -32.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' HB2' HG21 ' A' ' 70' ' ' ILE . 6.7 mt-10 -95.28 -40.61 9.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.586 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -60.03 -28.46 67.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 3.9 pt20 -118.91 32.83 5.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.353 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.417 ' HB1' ' H ' ' A' ' 59' ' ' ASN . . . -43.81 117.3 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -47.3 122.1 4.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 41.34 43.28 2.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.604 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 t30 44.92 87.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.417 ' H ' ' HB1' ' A' ' 55' ' ' ALA . 5.2 t-20 -129.19 65.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.04 173.62 16.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -105.46 25.1 11.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.81 ' CZ ' HG23 ' A' ' 12' ' ' THR . 75.8 m-85 -108.04 148.7 29.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -93.51 155.95 17.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -45.29 -55.43 5.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -48.97 -34.0 12.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 109' ' ' LEU . 37.9 mt-30 -79.91 -49.12 12.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' ILE . 0.6 OUTLIER -59.45 -54.99 40.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -31.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.49 -41.11 20.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.519 HG23 ' CD2' ' A' ' 49' ' ' LEU . 44.9 mt -51.22 -44.58 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.79 -51.54 45.68 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.541 1.151 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.81 -54.55 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.78 HD13 ' HG ' ' A' ' 105' ' ' LEU . 96.6 mt -43.11 -51.33 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -54.64 -54.79 36.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 74' ' ' ALA . 31.4 m -37.85 -52.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.821 ' HA ' HD22 ' A' ' 79' ' ' LEU . 83.6 m -53.43 -54.09 41.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.567 HD12 ' HB2' ' A' ' 46' ' ' ALA . 10.0 mt -39.97 -62.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -40.76 -44.69 2.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.821 HD22 ' HA ' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -63.64 -48.17 78.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.607 ' NE ' HD21 ' A' ' 84' ' ' LEU . 17.4 tpt180 -61.8 -59.1 5.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.525 ' HB3' HG23 ' A' ' 39' ' ' ILE . 58.7 m -43.98 -50.19 8.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.39 -48.1 76.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -42.24 -45.63 4.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.831 HD12 HG13 ' A' ' 39' ' ' ILE . 10.3 mt -59.7 -53.66 55.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -58.15 -37.01 73.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.45 129.48 39.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.0 t -128.63 154.43 46.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.372 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 71.28 -59.34 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.6 t -105.56 85.36 2.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.033 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -115.2 124.51 51.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -153.78 25.72 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -94.62 -144.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.252 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.601 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.4 OUTLIER -72.94 148.76 43.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.469 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -106.13 -170.03 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 95' ' ' LEU . 9.0 tp -78.76 -55.25 5.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.469 ' CG ' ' HD2' ' A' ' 94' ' ' LYS . 9.7 pt-20 -48.6 -50.8 31.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 96.6 m-20 -60.36 -31.37 70.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.814 ' HG ' HD11 ' A' ' 23' ' ' LEU . 2.0 tp -73.51 -58.26 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.469 ' HZ3' ' HB1' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -57.75 -17.25 14.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -11.06 49.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.556 HD23 HD12 ' A' ' 104' ' ' ILE . 32.7 mt -98.61 -5.94 30.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.566 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -61.42 -47.67 92.94 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.1 Cg_endo -75.04 -46.04 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.556 HD12 HD23 ' A' ' 101' ' ' LEU . 43.9 mt -45.73 -51.93 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.78 ' HG ' HD13 ' A' ' 73' ' ' ILE . 0.9 OUTLIER -60.11 -30.38 69.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 103' ' ' PRO . 3.5 mmmt -76.28 -48.0 21.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.637 ' HB3' HG23 ' A' ' 110' ' ' THR . 60.7 m-20 -90.98 23.98 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.44 -39.16 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.424 ' HA ' ' NE2' ' A' ' 66' ' ' GLN . 25.2 mt -71.26 -48.96 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.637 HG23 ' HB3' ' A' ' 107' ' ' ASN . 7.7 t -91.92 36.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.454 ' CE2' ' HA ' ' A' ' 113' ' ' LYS . 64.4 t80 -92.85 134.95 34.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' A' ' 113' ' ' LYS . 22.3 m-80 -82.91 -89.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.564 ' CG ' ' O ' ' A' ' 112' ' ' ASN . 0.0 OUTLIER 174.25 -167.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 2.2 tt0 85.8 -46.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.576 ' CD1' ' HD2' ' A' ' 116' ' ' PRO . 1.0 OUTLIER 66.42 148.77 0.11 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.576 ' HD2' ' CD1' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.05 0.78 8.51 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.497 1.788 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 97' ' ' ASP . 97.4 m-85 -148.19 171.8 15.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -129.04 88.46 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 120' ' ' GLN . 27.2 m -131.38 123.83 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 119' ' ' VAL . 3.0 mt-30 -38.38 121.14 1.09 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.6 11.6 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.779 HG22 ' N ' ' A' ' 123' ' ' SER . 2.9 mt -50.83 -97.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.779 ' N ' HG22 ' A' ' 122' ' ' ILE . 0.3 OUTLIER 72.7 -58.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -85.15 -169.64 46.22 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.5 20.43 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.798 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.44 107.87 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.7 m -72.99 97.49 2.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -162.02 158.5 25.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.982 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -96.77 111.08 23.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.63 137.95 2.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -164.29 130.04 2.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 0.794 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.3 156.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.977 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.93 -107.29 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.487 ' HE3' HD13 ' A' ' 109' ' ' LEU . 2.8 tmm? -66.01 139.24 58.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 0.791 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -150.45 -99.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' O ' ' CG ' ' A' ' 10' ' ' GLU . 12.4 tt0 -122.75 -3.73 8.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -100.54 -30.91 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.606 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 4.8 m -85.39 -40.52 16.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -30.28 65.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.4 t -83.83 -23.1 31.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.981 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -71.4 -33.59 69.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 105' ' ' LEU . 20.8 mt -78.76 -43.94 24.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -60.05 -32.49 70.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER -78.6 -44.6 23.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.563 ' HB3' HD22 ' A' ' 105' ' ' LEU . 6.2 m0 -60.59 -31.89 71.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 108.048 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.09 -18.76 64.24 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 -22.8 56.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.419 ' HB2' HD22 ' A' ' 45' ' ' LEU . 6.0 m -78.69 -65.37 1.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.85 HD11 ' HG ' ' A' ' 98' ' ' LEU . 50.0 tp -43.82 -56.58 3.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.68 -50.82 17.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' ASP . 1.7 ttt180 -64.21 -52.01 60.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.48 -26.36 1.61 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.88 -38.58 19.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' ' 32' ' ' TRP . 0.5 OUTLIER -56.97 -44.9 83.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.569 ' CZ ' ' OE2' ' A' ' 37' ' ' GLU . 54.8 m-85 -66.62 -51.56 54.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.96 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.69 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -53.28 -57.42 10.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.56 -67.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.502 ' CG ' ' O ' ' A' ' 28' ' ' ASP . 20.8 m0 -43.76 -72.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 107.978 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.04 43.36 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.555 1.16 . . . . 0.0 110.943 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -118.9 72.6 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 110.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.454 HD23 ' N ' ' A' ' 35' ' ' LEU . 4.6 mt -61.79 -54.01 48.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.8 t -48.0 -60.23 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.569 ' OE2' ' CZ ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -56.22 -42.99 78.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.27 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.72 -64.09 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.883 HG13 HD12 ' A' ' 84' ' ' LEU . 6.6 mt -41.27 -59.85 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.647 ' O ' HD13 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -46.55 -49.37 18.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -53.78 -66.02 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.498 ' CE2' ' HG2' ' A' ' 80' ' ' ARG . 20.2 m-85 -49.51 -64.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.673 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 63.0 mt-30 -39.46 -62.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.687 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.3 mp -42.08 -60.71 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.482 ' N ' HG22 ' A' ' 44' ' ' ILE . 45.8 tp -50.65 -37.96 43.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 43' ' ' GLN . . . -58.3 -64.31 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -29.83 65.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.687 ' CE1' HG23 ' A' ' 44' ' ' ILE . 1.4 m80 -70.79 -31.38 68.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.582 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.838 HD22 HG23 ' A' ' 70' ' ' ILE . 16.8 mt -66.55 -42.36 87.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.659 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 63.8 mt-30 -60.12 -46.19 90.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 50' ' ' GLN . 7.7 tptt -39.31 -32.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.557 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 57.8 mm-40 -96.04 -37.52 10.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.659 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -64.97 -61.1 2.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.4 pt20 -70.46 -34.06 71.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.443 ' HB1' ' H ' ' A' ' 59' ' ' ASN . . . 50.8 77.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -40.33 -84.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.1 55.57 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.62 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.9 76.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.443 ' H ' ' HB1' ' A' ' 55' ' ' ALA . 2.0 t-20 -132.81 95.62 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.4 p 174.74 125.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.1 39.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.606 ' CZ ' HG23 ' A' ' 12' ' ' THR . 21.6 m-85 -123.72 177.61 5.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.839 HG22 ' OE1' ' A' ' 66' ' ' GLN . 1.9 t -104.78 171.13 7.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.417 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -52.01 -51.9 54.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.332 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.42 ' CA ' ' HE2' ' A' ' 113' ' ' LYS . 10.3 mm-40 -46.67 -58.91 3.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.839 ' OE1' HG22 ' A' ' 63' ' ' THR . 56.1 mt-30 -53.78 -59.6 4.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.546 ' HA ' HD12 ' A' ' 70' ' ' ILE . 20.4 mtpt -40.66 -49.42 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.27 -68.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.407 ' OG1' ' CE1' ' A' ' 111' ' ' TYR . 1.1 m -47.93 -54.28 13.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.376 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.838 HG23 HD22 ' A' ' 49' ' ' LEU . 80.1 mt -40.76 -43.24 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.41 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -72.64 -51.8 11.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' CG ' ' HB3' ' A' ' 121' ' ' PRO . 11.4 mttt -47.15 -41.73 18.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.73 HD13 ' HG ' ' A' ' 105' ' ' LEU . 88.8 mt -53.17 -56.93 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.529 ' HB3' ' CD1' ' A' ' 122' ' ' ILE . . . -47.68 -56.25 7.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.9 m -39.86 -49.21 2.39 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' CB ' HD11 ' A' ' 101' ' ' LEU . 47.2 m -57.32 -50.13 73.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.628 HD12 ' CA ' ' A' ' 46' ' ' ALA . 16.0 mt -44.07 -59.11 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.33 -27.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.404 ' N ' ' C ' ' A' ' 77' ' ' LEU . 20.7 mt -79.28 -58.1 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.672 ' CZ ' HD21 ' A' ' 84' ' ' LEU . 14.2 tpt85 -48.89 -65.28 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.702 ' HB3' HG23 ' A' ' 39' ' ' ILE . 31.5 m -41.2 -61.06 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 86' ' ' SER . . . -50.94 -46.81 61.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -48.72 -36.97 17.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.883 HD12 HG13 ' A' ' 39' ' ' ILE . 21.3 mt -67.35 -50.38 60.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -66.95 -19.36 65.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 82' ' ' ALA . 1.3 p -82.71 -12.71 57.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 89' ' ' SER . 11.5 m 57.29 165.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.421 ' N ' HG22 ' A' ' 87' ' ' THR . 0.9 OUTLIER -45.51 94.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 87' ' ' THR . 1.3 t 179.02 160.87 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 63.53 179.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -124.03 63.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.78 -145.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.549 ' CE1' ' CD1' ' A' ' 117' ' ' PHE . 0.3 OUTLIER -86.56 142.23 28.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 -168.8 1.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.904 HD23 HD23 ' A' ' 98' ' ' LEU . 8.8 mt -81.82 -53.13 6.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 9.3 pt-20 -51.15 -33.8 28.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 117' ' ' PHE . 77.3 m-20 -81.51 -25.8 35.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.904 HD23 HD23 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -79.29 -39.84 31.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -56.56 -18.19 10.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 96' ' ' GLU . 19.3 mtpp -70.9 -6.29 37.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.6 HD23 HD12 ' A' ' 104' ' ' ILE . 83.2 mt -100.36 2.13 42.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.679 ' HA ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -79.14 -50.21 1.4 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.265 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -75.06 -30.21 7.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.6 HD12 HD23 ' A' ' 101' ' ' LEU . 65.5 mt -61.03 -46.45 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.73 ' HG ' HD13 ' A' ' 73' ' ' ILE . 1.4 mt -70.42 -31.66 68.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -72.24 -51.57 20.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 110' ' ' THR . 9.7 m-80 -92.11 24.71 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.61 -36.37 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.487 HD13 ' HE3' ' A' ' 8' ' ' MET . 0.2 OUTLIER -79.64 -35.18 39.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 107' ' ' ASN . 0.0 OUTLIER -112.72 52.3 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.407 ' CE1' ' OG1' ' A' ' 69' ' ' THR . 0.7 OUTLIER -120.15 125.03 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -71.32 123.59 22.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.42 ' HE2' ' CA ' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -53.22 -175.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.247 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 115' ' ' PHE . 0.9 OUTLIER 77.85 60.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.55 ' CD2' ' HD2' ' A' ' 116' ' ' PRO . 0.5 OUTLIER -36.52 147.78 0.19 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.989 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -75.0 -38.35 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.464 1.771 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.549 ' CD1' ' CE1' ' A' ' 93' ' ' PHE . 93.7 m-85 -85.84 -10.53 55.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' PHE . 33.7 m-20 39.38 82.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 120' ' ' GLN . 5.9 m -124.38 127.95 73.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 119' ' ' VAL . 0.2 OUTLIER -38.44 124.19 1.12 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.424 ' HB3' ' CG ' ' A' ' 72' ' ' LYS . 18.1 Cg_endo -74.95 148.33 35.37 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.475 1.776 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.529 ' CD1' ' HB3' ' A' ' 74' ' ' ALA . 2.1 mt -72.72 139.34 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.42 113.77 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -97.69 -114.95 3.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.9 171.49 8.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.3 m -149.59 152.33 35.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 t -110.44 -58.67 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -78.5 115.62 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.5 119.64 0.91 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.29 131.61 39.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -90.55 -62.42 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.04 -67.43 1.51 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.778 ' CE ' HD11 ' A' ' 109' ' ' LEU . 0.3 OUTLIER -178.81 64.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 111.012 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 40.73 -153.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.977 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' CD ' ' N ' ' A' ' 10' ' ' GLU . 2.2 pm0 -118.11 -38.82 3.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.2 m -56.33 -43.01 75.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.767 HG23 ' CZ ' ' A' ' 62' ' ' PHE . 93.2 m -69.87 -42.79 73.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.3 -25.32 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 p -87.64 -18.62 29.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.957 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.569 HD13 ' CH2' ' A' ' 19' ' ' TRP . 4.9 mt -71.15 -68.17 0.46 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.3 mt -41.23 -28.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.442 ' N ' ' C ' ' A' ' 15' ' ' LEU . 9.6 mt-30 -86.21 -70.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -40.08 -32.28 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.256 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.569 ' CH2' HD13 ' A' ' 15' ' ' LEU . 6.6 m0 -69.23 -66.19 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.025 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.57 -23.49 4.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.6 -34.98 70.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.51 ' CB ' HD22 ' A' ' 45' ' ' LEU . 3.7 m -62.8 -62.04 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.035 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.625 ' CD1' HD21 ' A' ' 98' ' ' LEU . 21.8 tp -50.82 -58.37 6.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -37.96 -46.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -74.26 -48.17 30.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.7 -37.63 3.95 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.29 -52.92 42.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.515 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 24.6 m-20 -41.11 -56.63 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -55.6 -52.71 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -64.31 0.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 m -41.04 -65.8 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.515 ' CH2' ' HB3' ' A' ' 28' ' ' ASP . 28.9 m0 -48.62 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.67 43.53 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.531 1.145 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -114.18 68.31 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.317 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 39' ' ' ILE . 9.6 mt -56.47 -58.91 6.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.777 HG13 ' H ' ' A' ' 37' ' ' GLU . 1.4 p -42.37 -71.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.777 ' H ' HG13 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -51.77 -44.43 63.37 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 34' ' ' GLN . . . -52.51 -62.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.893 HG13 HD12 ' A' ' 84' ' ' LEU . 3.4 mt -43.42 -52.69 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.93 -53.87 9.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -50.18 -66.16 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.537 ' HE2' HD11 ' A' ' 84' ' ' LEU . 22.0 m-85 -46.08 -66.98 0.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.503 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 31.2 mt-30 -40.57 -64.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.442 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.1 mp -43.2 -54.3 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.51 HD22 ' CB ' ' A' ' 22' ' ' SER . 20.7 tp -58.19 -40.89 82.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.519 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -56.66 -58.33 8.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -34.71 63.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.442 ' CE1' HG23 ' A' ' 44' ' ' ILE . 1.3 m80 -66.13 -36.43 83.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.599 HD13 ' HB ' ' A' ' 73' ' ' ILE . 71.8 mt -65.64 -58.5 5.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.442 ' C ' ' N ' ' A' ' 52' ' ' GLU . 7.5 mt-30 -47.45 -44.9 25.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -29.04 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.476 ' HB2' HG21 ' A' ' 70' ' ' ILE . 33.1 mm-40 -94.1 -40.58 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -60.81 -37.11 80.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -116.65 41.75 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.605 ' HB1' ' O ' ' A' ' 58' ' ' ASN . . . -45.67 107.87 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.68 -59.69 1.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.252 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -79.06 -54.64 5.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.6 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.605 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -99.88 98.84 9.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -46.97 -39.5 12.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m 76.53 144.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.57 54.1 2.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.767 ' CZ ' HG23 ' A' ' 12' ' ' THR . 39.3 m-85 -127.3 142.53 51.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.448 HG23 ' CG ' ' A' ' 65' ' ' GLU . 5.4 t -80.56 156.89 26.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.419 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -47.88 -62.55 1.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 8.4 pt-20 -41.89 -32.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.518 ' NE2' HD23 ' A' ' 109' ' ' LEU . 27.1 mt-30 -81.5 -50.31 9.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 70' ' ' ILE . 34.8 mtpt -56.28 -37.39 69.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -59.58 -54.7 43.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.598 ' OG1' ' CE2' ' A' ' 111' ' ' TYR . 48.2 m -51.8 -58.12 7.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.544 HG23 HD22 ' A' ' 49' ' ' LEU . 63.5 mt -40.91 -43.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.471 ' CA ' HG12 ' A' ' 122' ' ' ILE . . . -65.38 -56.57 14.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.564 ' HB3' ' CE1' ' A' ' 115' ' ' PHE . 1.7 mttt -41.06 -38.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.822 HG23 HD13 ' A' ' 101' ' ' LEU . 71.9 mt -62.63 -59.13 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -43.33 -44.83 5.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.4 -58.2 7.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.653 ' SG ' HG11 ' A' ' 119' ' ' VAL . 71.9 m -47.54 -55.7 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 108.31 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' A' ' 46' ' ' ALA . 3.6 mt -38.97 -63.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' LEU . 1.4 mm-40 -37.53 -51.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.592 ' N ' HD13 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -54.91 -56.08 23.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 28.4 tpt180 -56.3 -61.63 2.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.417 ' O ' ' NE2' ' A' ' 85' ' ' GLN . 75.3 m -39.13 -52.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.61 -48.02 73.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -40.84 -53.82 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.893 HD12 HG13 ' A' ' 39' ' ' ILE . 23.0 mt -52.84 -48.86 66.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 81' ' ' SER . 23.8 mt-30 -59.8 -39.84 86.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 t -72.75 138.91 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 87' ' ' THR . 7.5 m -152.49 70.49 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -172.05 81.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 39.28 73.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.049 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -109.07 175.45 5.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -149.41 68.08 1.02 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -109.85 -151.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.59 ' CZ ' ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -76.91 141.92 40.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.421 ' HA ' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -106.23 -170.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 95' ' ' LEU . 3.5 tp -75.31 -59.94 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.36 -46.92 9.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -60.63 -38.22 84.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.625 HD21 ' CD1' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -74.23 -46.39 42.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.409 ' HA ' HD21 ' A' ' 23' ' ' LEU . 15.0 mttm -53.36 -23.16 8.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -72.07 -5.64 36.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.822 HD13 HG23 ' A' ' 73' ' ' ILE . 90.0 mt -99.56 -3.61 32.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.5 OUTLIER -72.69 -50.32 7.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.518 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.3 Cg_endo -75.0 -47.78 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 108' ' ' ILE . 15.8 mt -45.48 -51.37 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.636 ' HG ' HD13 ' A' ' 73' ' ' ILE . 0.7 OUTLIER -52.58 -35.42 53.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 103' ' ' PRO . 15.6 mttt -79.55 -38.12 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.459 ' OD1' ' CG2' ' A' ' 110' ' ' THR . 32.7 m-80 -88.67 16.16 7.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 104' ' ' ILE . 0.6 OUTLIER -54.41 -28.67 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.778 HD11 ' CE ' ' A' ' 8' ' ' MET . 77.0 mt -80.98 -47.17 14.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.459 ' CG2' ' OD1' ' A' ' 107' ' ' ASN . 8.5 t -91.84 34.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.598 ' CE2' ' OG1' ' A' ' 69' ' ' THR . 17.7 t80 -82.63 125.8 31.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -97.71 27.52 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.577 ' HA ' ' CE2' ' A' ' 111' ' ' TYR . 12.6 mttt 51.0 -179.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.8 tt0 80.24 74.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -57.78 144.43 73.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.441 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 18.2 Cg_endo -74.98 -14.28 21.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.441 ' CE2' ' HG2' ' A' ' 116' ' ' PRO . 48.1 m-85 -116.38 152.36 34.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -77.09 68.76 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.653 HG11 ' SG ' ' A' ' 76' ' ' CYS . 28.9 m -125.06 131.78 72.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -88.45 158.34 48.85 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 134.14 17.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.471 HG12 ' CA ' ' A' ' 71' ' ' GLY . 10.8 mm -43.84 -91.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 68.3 p -39.43 130.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -123.18 -129.36 3.49 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 78.56 2.85 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.769 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.66 91.47 2.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.984 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.27 119.86 13.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.55 165.09 11.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.018 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -128.67 93.93 3.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.56 -103.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.67 87.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 0.774 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.13 77.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.14 127.18 9.92 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 ttt 60.13 124.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 0.753 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -148.2 -96.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.955 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -115.53 -15.97 11.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.7 m -85.54 -38.29 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.4 m -79.89 -48.91 12.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 110.37 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -41.05 52.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.46 -29.31 69.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.61 HD23 ' HG2' ' A' ' 18' ' ' ARG . 4.1 mt -69.05 -61.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.964 HD12 ' O ' ' A' ' 106' ' ' LYS . 0.9 OUTLIER -42.59 -28.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.441 ' N ' ' C ' ' A' ' 15' ' ' LEU . 33.4 mt-30 -89.15 -70.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.249 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.61 ' HG2' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -38.71 -33.5 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.354 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.793 ' HB3' HD13 ' A' ' 105' ' ' LEU . 4.4 m0 -70.17 -67.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 108.029 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.82 -27.82 14.47 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.7 -42.0 95.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.2 -63.03 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 110.018 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.879 HD11 ' HG ' ' A' ' 98' ' ' LEU . 52.7 tp -47.29 -59.82 2.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -40.25 -46.99 2.38 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -44.95 70.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.09 -35.67 33.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.89 -44.65 61.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.504 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . 67.4 m-20 -50.45 -54.28 23.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 37' ' ' GLU . 16.3 m-85 -51.73 -59.16 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -54.09 -54.31 41.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.02 -68.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.504 ' CZ2' ' HB3' ' A' ' 28' ' ' ASP . 5.1 m0 -55.46 -65.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.97 47.8 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' LEU . 13.6 mm100 -115.98 45.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 39' ' ' ILE . 4.5 mt -36.68 -43.25 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.01 -59.98 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.9 mt-10 -61.69 -39.86 92.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' HB1' ' CE2' ' A' ' 42' ' ' TYR . . . -56.85 -50.18 73.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 35' ' ' LEU . 7.8 mt -54.15 -60.06 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.85 -60.87 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -46.19 -59.54 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.597 ' CE1' HD21 ' A' ' 98' ' ' LEU . 18.7 m-85 -51.31 -63.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.508 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 87.9 mt-30 -47.94 -62.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.604 HG23 ' CE1' ' A' ' 48' ' ' HIS . 1.1 mp -40.83 -56.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.411 ' CD1' ' CD1' ' A' ' 19' ' ' TRP . 55.3 tp -55.5 -42.96 75.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.652 ' CA ' HD12 ' A' ' 77' ' ' LEU . . . -55.65 -53.55 55.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -27.42 68.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.604 ' CE1' HG23 ' A' ' 44' ' ' ILE . 1.3 m80 -73.73 -42.13 61.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.549 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.877 HD22 HG23 ' A' ' 70' ' ' ILE . 32.7 mt -53.86 -53.95 45.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.575 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 38.1 mt-30 -49.98 -45.47 51.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' GLN . 12.9 tptt -39.53 -31.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.504 ' HG3' ' CZ2' ' A' ' 19' ' ' TRP . 17.1 mm-40 -95.75 -39.32 9.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 50' ' ' GLN . . . -61.48 -59.93 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 56' ' ' GLN . 9.0 pt20 -101.41 43.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.99 ' HB3' ' HA ' ' A' ' 59' ' ' ASN . . . -46.6 95.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' GLN . 26.4 tt0 -39.75 -29.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -105.34 109.55 21.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 59' ' ' ASN . 16.8 m-80 60.97 -87.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.99 ' HA ' ' HB3' ' A' ' 55' ' ' ALA . 7.6 m-20 165.02 43.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 p 61.06 -162.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.02 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.62 8.13 35.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.402 ' CE1' HG21 ' A' ' 108' ' ' ILE . 31.2 m-85 -92.45 150.41 20.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.715 HG22 ' CD ' ' A' ' 66' ' ' GLN . 3.8 t -78.66 156.48 29.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 68' ' ' LYS . 7.7 mt-10 -37.87 -55.87 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' CA ' ' HE3' ' A' ' 113' ' ' LYS . 55.8 mt-10 -49.07 -52.76 23.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.715 ' CD ' HG22 ' A' ' 63' ' ' THR . 5.6 mt-30 -55.71 -63.2 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -56.39 -19.02 12.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -80.35 -30.05 37.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 70' ' ' ILE . 1.1 m -88.39 -45.93 9.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.877 HG23 HD22 ' A' ' 49' ' ' LEU . 92.5 mt -40.67 -57.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.414 ' O ' HD12 ' A' ' 122' ' ' ILE . . . -48.67 -52.75 19.36 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.563 1.165 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -44.54 -52.09 8.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 0.789 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.855 HD13 ' HG ' ' A' ' 105' ' ' LEU . 25.7 mt -48.21 -52.74 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . . . -53.12 -57.13 11.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.453 ' CG2' ' HB ' ' A' ' 119' ' ' VAL . 0.8 OUTLIER -37.35 -61.67 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.436 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.805 ' SG ' HG11 ' A' ' 119' ' ' VAL . 1.8 m -41.83 -50.3 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 108.289 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.652 HD12 ' CA ' ' A' ' 46' ' ' ALA . 15.0 mt -44.5 -50.4 9.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -49.14 -28.08 4.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.657 ' N ' HD12 ' A' ' 79' ' ' LEU . 2.3 mp -78.24 -60.3 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.85 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 9.6 tpt85 -45.95 -67.97 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.462 ' C ' ' NE2' ' A' ' 85' ' ' GLN . 85.2 p -41.33 -70.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' N ' ' OG ' ' A' ' 81' ' ' SER . . . -42.3 -41.22 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.85 ' HB3' ' O ' ' A' ' 80' ' ' ARG . . . -47.03 -54.6 9.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.721 HD22 ' O ' ' A' ' 80' ' ' ARG . 2.1 mm? -55.24 -60.65 3.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.462 ' NE2' ' C ' ' A' ' 81' ' ' SER . 3.0 mt-30 -50.29 -49.9 52.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -38.39 140.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.04 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.7 m -90.26 166.0 13.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.395 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 69.83 -65.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.72 -75.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 69.0 -73.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 57.84 78.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.91 -0.18 42.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 97' ' ' ASP . 1.4 t80 -178.87 105.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.431 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -63.09 -170.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 98' ' ' LEU . 2.2 mt -85.04 -57.14 3.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -47.3 -23.43 0.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.572 ' HB3' ' CE1' ' A' ' 93' ' ' PHE . 37.3 m-20 -86.31 -37.57 18.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.879 ' HG ' HD11 ' A' ' 23' ' ' LEU . 1.9 tp -70.87 -47.91 56.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -14.56 38.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -76.23 -2.33 30.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.016 HD23 HD12 ' A' ' 104' ' ' ILE . 83.1 mt -103.66 -1.65 27.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.0 OUTLIER -66.11 -52.55 38.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 102' ' ' GLU . 18.2 Cg_endo -74.97 -29.54 8.16 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.016 HD12 HD23 ' A' ' 101' ' ' LEU . 43.7 mt -63.1 -32.85 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.872 ' O ' HD13 ' A' ' 16' ' ' LEU . 2.5 mt -87.14 -35.98 18.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.964 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -68.47 -42.97 77.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' A' ' 111' ' ' TYR . 20.1 m-80 -101.71 27.75 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.539 HG13 HD23 ' A' ' 105' ' ' LEU . 0.3 OUTLIER -44.61 -46.54 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.7 mt -55.25 -63.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 t -107.62 57.46 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.812 ' CD2' HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -97.47 -21.35 17.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 62.25 125.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.497 ' HA ' ' CE1' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -57.36 -164.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 0.9 OUTLIER 82.65 45.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 110.289 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.444 ' CE2' HD21 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -37.95 143.43 0.4 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.417 ' HD2' ' CD2' ' A' ' 115' ' ' PHE . 18.2 Cg_endo -74.95 -9.38 20.82 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -128.55 162.58 26.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -92.69 87.87 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.805 HG11 ' SG ' ' A' ' 76' ' ' CYS . 2.7 m -130.83 130.62 64.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -79.52 142.57 58.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 150.55 38.18 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.536 1.808 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.54 HG21 ' CD ' ' A' ' 50' ' ' GLN . 2.9 mt -84.09 134.03 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 m -155.14 139.28 16.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -129.15 -156.36 8.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 76.78 3.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.794 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.33 -58.75 2.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.0 m -55.75 -57.86 10.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.995 . . . . . . . . 0 0 . 1 stop_ save_